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(((2-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methylene)diphosphonic acid
-
about 75% inhibition at 0.01 mM
(((5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methylene)diphosphonic acid
-
about 10% inhibition at 0.01 mM
(((6-(4-tolyl)thieno[2,3-d]pyrimidin-4-yl)amino)methylene)diphosphonic acid
-
about 85% inhibition at 0.01 mM
(((6-(naphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl)amino)methylene)diphosphonic acid
-
about 87% inhibition at 0.01 mM
(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)
-
-
(2-[[(2E)-2,6-dimethylhepta-2,5-dien-1-yl]amino]ethane-1,1-diyl)bis(phosphonic acid)
-
-
(2R,4aS,6aS,12bR,14aS)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
-
-
(4bR,8aS)-4b-(5-acetyl-1,3,4-oxadiazol-2-yl)-8,8-dimethyl-2-(propan-2-yl)-5,6,7,8,8a,9-hexahydrophenanthrene-3,4,10(4bH)-trione
-
(4bR,8aS)-4b-(5-amino-1,3,4-oxadiazol-2-yl)-8,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4-diol
-
(4bR,8aS)-4b-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-8,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4-diol
-
(4bR,8aS)-4b-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-8,8-dimethyl-2-(propan-2-yl)-5,6,7,8,8a,9-hexahydrophenanthrene-3,4,10(4bH)-trione
-
(4bR,8aS)-4b-(5-[(1S)-1-[(hydroxymethyl)amino]ethyl]-1,3,4-oxadiazol-2-yl)-8,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4-diol
-
(4bR,8aS)-4b-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-8,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4-diol
-
(4bR,8aS)-4b-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-8,8-dimethyl-2-(propan-2-yl)-5,6,7,8,8a,9-hexahydrophenanthrene-3,4,10(4bH)-trione
-
(4bR,8aS)-4b-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-8,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4-diol
-
(6-phenylthieno[2,3-d]pyrimidin-4-ylamino)methylenebisphosphonic acid
-
about 61% inhibition at 0.01 mM
(R)-(1-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-2-(3-fluorophenyl)ethyl)phosphonic acid
-
(R)-(1-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-2-cyclohexylethyl)phosphonic acid
-
(R)-(1-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-2-phenylethyl)phosphonic acid
-
(R)-(2-(3-fluorophenyl)-1-((6-(p-tolyl)thieno[2,3-d]-pyrimidin-4-yl)amino)ethyl)phosphonic acid
-
(R)-(2-phenyl-1-((6-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl)-amino)ethyl)phosphonic acid
-
(R)-2-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-3-(3-fluorophenyl)propanoic acid
-
(S)-(1-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-2-(3-fluorophenyl)ethyl)phosphonic acid
-
(S)-(1-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-2-cyclohexylethyl)phosphonic acid
-
(S)-(1-((6-(3-chloro-4-methylphenyl)thieno[2,3-d]-pyrimidin-4-yl)amino)-2-phenylethyl)phosphonic acid
-
(S)-(2-(3-fluorophenyl)-1-((6-(p-tolyl)thieno[2,3-d]-pyrimidin-4-yl)amino)ethyl)phosphonic acid
-
(S)-(2-phenyl-1-((6-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl)-amino)ethyl)phosphonic acid
-
(thieno[2,3-d]pyrimidin-4-ylamino)methylene bisphosphonic acid
-
about 78% inhibition at 0.01 mM
([Cu(II)(pamidronate)]H2O)n
-
-
-
([[6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl]amino]methanediyl)bis(phosphonic acid)
-
([[6-(3-methoxyphenyl)pyridin-3-yl]amino]methanediyl)bis(phosphonic acid)
-
([[6-(4-methylphenyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-yl]amino]methyl)phosphonic acid
-
([[6-(thiophen-3-yl)pyridin-3-yl]amino]methanediyl)bis(phosphonic acid)
-
1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
-
-
1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
1-(carboxymethyl)-5,9b-dihydro-1H-benzo[g]indole-2-carboxylic acid
-
1-[(3-carboxy-1,2-oxazol-5-yl)methyl]-1H-benzo[g]indole-2-carboxylic acid
-
-
1-[(benzylamino)ethyl] 1,1-bisphosphonic acid
1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
-
-
1-[(n-dec-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-dodec-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-hept-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-hex-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-non-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-oct-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-pent-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-tetradec-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(n-undec-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(prop-1-ylamino)ethyl] 1,1-bisphosphonic acid
1-[(prop-2-ylamino)ethyl] 1,1-bisphosphonic acid
11,12-dihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one
-
11,12-dihydroxy-N-(2-hydroxyethyl)abieta-8(14),9(11),12-trien-20-amide
-
11,12-dihydroxy-N-methylabieta-8(14),9(11),12-trien-20-amide
-
11,12-dihydroxy-N-[(pyridin-3-yl)methyl]abieta-8(14),9(11),12-trien-20-amide
-
11,12-dihydroxy-N-[3-(1H-imidazol-1-yl)propyl]abieta-8(14),9(11),12-trien-20-amide
-
11,12-dihydroxyabieta-8(14),9(11),12-triene-20-hydrazide
-
11-hydroxyabieta-7,9(11),13-triene-6,12-dione
-
12-hydroxy-11,20-epoxyabieta-8(14),9(11),12-trien-20-one
-
1H,1'H-4,4'-biindole-2-carboxylic acid
-
-
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-4,4a-dihydro-3H-xanthen-3-one
2-(naphthalen-1-ylmethoxy)-4-(phenylamino)benzoic acid
-
-
2-(naphthalen-1-ylmethoxy)benzoic acid
-
-
2-[11,12-dihydroxy-20-oxoabieta-8(14),9(11),12-trien-20-yl]hydrazine-1-carboxamide
-
2-[[(1S,2R,4aR)-4a-hydroxy-1,2-dimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
-
3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazo[1,2-a]pyridin-4-ium
-
-
3-(naphthalen-1-ylmethoxy)biphenyl-4-carboxylic acid
-
-
3-butyl-1-(2,2-diphosphonoethyl)pyridinium
3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)-pyridinium
-
-
4'-(hydroxymethyl)-3-(naphthalen-1-ylmethoxy)biphenyl-4-carboxylic acid
-
-
4'-(methylcarbamoyl)-3-[(naphthalen-1-yl)methoxy][1,1'-biphenyl]-4-carboxylic acid
-
-
4'-acetamido-3-[(naphthalen-1-yl)methoxy][1,1'-biphenyl]-4-carboxylic acid
-
-
4'-carbamoyl-3-(naphthalen-1-ylmethoxy)biphenyl-4-carboxylic acid
-
-
4'-fluoro-3-(naphthalen-1-ylmethoxy)biphenyl-4-carboxylic acid
-
-
4'-[(methanesulfonyl)amino]-3-[(naphthalen-1-yl)methoxy][1,1'-biphenyl]-4-carboxylic acid
-
-
4-(1,3-benzodioxol-5-yl)-2-(naphthalen-1-ylmethoxy)benzoic acid
-
-
4-(1-methyl-1H-indol-5-yl)-2-[(naphthalen-1-yl)methoxy]benzoic acid
-
-
4-(1H-indol-5-yl)-2-(naphthalen-1-ylmethoxy)benzoic acid
-
-
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(naphthalen-1-yl)methoxy]benzoic acid
-
-
4-(6-methoxynaphthalen-2-yl)-2-[(naphthalen-1-yl)methoxy]benzoic acid
-
-
4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid
-
-
4-[5-[(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,3,4,9,10,10a-hexahydrophenanthren-4a(2H)-yl]-1,3,4-oxadiazol-2-yl]benzonitrile
-
6,20-epoxyabieta-8,13-diene-7,11,12,20-tetrone
-
6-amino-5-ethoxy-8-(naphthalen-1-yl)quinoline-2-carboxylic acid
-
-
6-amino-8-(naphthalen-1-yl)quinoline-2-carboxylic acid
-
-
6-[(ethoxycarbonyl)amino]-8-(naphthalen-1-yl)quinoline-2-carboxylic acid
-
-
7,20-epoxyabieta-8(14),9(11),12-triene-11,12-diol
-
7,20-epoxyabieta-8,13-diene-11,12,20-trione
-
7,20-epoxyabieta-8,13-diene-11,12-dione
-
8-(1H-indol-4-yl)quinoline-2-carboxylic acid
-
-
8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid
-
-
8-(naphthalen-1-yl)-6-(thiophen-3-yl)quinoline-2-carboxylic acid
-
-
8-(naphthalen-1-yl)quinoline-2-carboxylic acid
-
-
abieta-8(14),9(11),12-triene-11,12,20-triol
-
Ca2+
-
5 mM, 80% inhibition
diphosphate
-
0.66 mM, 50% inhibition
K+
-
500 mM, 63% inhibition in the presence of MgCl2
methyl 11,12-dihydroxy-7-(phenylsulfanyl)abieta-8(14),9(11),12-trien-20-oate
-
methyl 11,12-dihydroxy-7-methoxyabieta-8(14),9(11),12-trien-20-oate
-
methyl 11,12-dihydroxy-7-oxoabieta-8(14),9(11),12-trien-20-oate
-
methyl 11,12-dihydroxy-7-[(2-hydroxyethyl)sulfanyl]abieta-8(14),9(11),12-trien-20-oate
-
methyl 11,12-dihydroxyabieta-7,9(11),13-trien-20-oate
-
methyl 11,12-dihydroxyabieta-8(14),9(11),12-trien-20-oate
-
methyl 11-[[tert-butyl(dimethyl)silyl]oxy]-12-hydroxyabieta-8(14),9(11),12-trien-20-oate
-
methyl 7,11,12-trioxoabieta-8,13-dien-20-oate
-
methyl 7-(butylsulfanyl)-11,12-dihydroxyabieta-8(14),9(11),12-trien-20-oate
-
methyl 7-ethoxy-11,12-dihydroxyabieta-8(14),9(11),12-trien-20-oate
-
methyl 7-ethoxy-11,12-dioxoabieta-8,13-dien-20-oate
-
methyl 7-tert-butoxy-11,12-dioxoabieta-8,13-dien-20-oate
-
methyl 7-[(2-hydroxyethyl)sulfanyl]-11,12-dioxoabieta-8,13-dien-20-oate
-
MMV019313
the inhibitor is highly selective for Plasmodium falciparum FPPS/GGPPS and shows no activity against human farnesyl diphosphate synthase or geranylgeranyl diphosphate synthase. Inhibition of the bifunctional farnesyl/geranylgeranyl diphosphate synthase by MMV019313, but not bisphosphonates, is disrupted in an S228T variant, demonstrating that MMV019313 and bisphosphonates have distinct modes-of-inhibition. Inhibition occurs via a new small molecule binding site
N'-(4-bromobenzoyl)-11,12-dihydroxyabieta-8(14),9(11),12-triene-20-hydrazide
-
N'-acetyl-11,12-dihydroxyabieta-8(14),9(11),12-triene-20-hydrazide
-
N-acetyl-S-((4aR,10aS)-5,6-dihydroxy-7-isopropyl-4a-(methoxycarbonyl)-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-yl)-L-cysteine
-
N-benzyl-11,12-dihydroxyabieta-8(14),9(11),12-trien-20-amide
-
N-ethylmaleimide
-
8 mM, 54% inhibition
N-[2-(dimethylamino)ethyl]-11,12-dihydroxy-7-oxoabieta-8(14),9(11),12-trien-20-amide
-
N-[2-(dimethylamino)ethyl]-11,12-dihydroxyabieta-8(14),9(11),12-trien-20-amide
-
p-chloromercuribenzoic acid
-
0.15 mM, 882% inhibition of wild-type farnesyl diphosphate synthase, 11% inhibition of C73S/C289S mutant enzyme
p-hydroxymercuribenzoate
-
1 mM, 25% inhibition
tert-butyl [(1R)-1-amino-2-[2-[11,12-dihydroxy-20-oxoabieta-8(14),9(11),12-trien-20-yl]hydrazinyl]-2-oxoethyl]carbamate
-
tert-butyl [(1R)-1-[5-[(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-9-oxo-7-(propan-2-yl)-1,3,4,9,10,10a-hexahydrophenanthren-4a(2H)-yl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
-
tert-butyl [(1S)-1-[5-[(4aR,10aS)-1,1-dimethyl-5,6,9-trioxo-7-(propan-2-yl)-1,3,4,5,6,9,10,10a-octahydrophenanthren-4a(2H)-yl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
-
tert-butyl [(1S)-1-[5-[(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,3,4,9,10,10a-hexahydrophenanthren-4a(2H)-yl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
-
Triton X-100
-
above 0.2%
ZINC04011866
0.01 mM, 29.9% inhibition
ZINC04043066
0.01 mM, 25.3% inhibition
ZINC04064228
0.01 mM, 11.5% inhibition
ZINC04082083
0.01 mM, 17.3% inhibition
ZINC04763743
0.01 mM, 29.4% inhibition
ZINC05037497
0.01 mM, 29.3% inhibition
ZINC06894343
0.01 mM, 28.9% inhibition
ZINC09224949
0.01 mM, 23.5% inhibition
ZINC12377242
0.01 mM, 13% inhibition
ZINC15868804
0.01 mM, 24% inhibition
[(octylamino)methanediyl]bis(phosphonic acid)
-
-
[([6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]amino)methanediyl]bis(phosphonic acid)
-
[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
-
about 90% inhibition at 0.01 mM
[1-fluoro-2-[2-(1H-indazol-4-yl)pyridin-4-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-indazol-4-yl)pyridin-2-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-indazol-4-yl)pyridin-3-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-indazol-5-yl)pyridin-2-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-indazol-5-yl)pyridin-3-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-indazol-6-yl)pyridin-3-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-pyrazol-4-yl)pyridin-2-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[5-(1H-pyrazol-4-yl)pyridin-3-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-fluoro-2-[6-(1H-pyrazol-4-yl)pyridin-3-yl]ethane-1,1-diyl]bis(phosphonic acid)
-
[1-hydroxy-3-[(3-phenylpropyl)amino]propane-1,1-diyl]bis(phosphonic acid)
-
-
[1-hydroxy-3-[methyl(2-phenylethyl)amino]propane-1,1-diyl]bis(phosphonic acid)
-
-
[1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl]bis(phosphonic acid)
-
-
[2-(1,2-dimethyl-1H-indol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
about 64% inhibition at 0.01 mM
[2-(1-ethyl-1H-indol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
about 78% inhibition at 0.01 mM
[2-(1-methyl-1H-indol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
about 60% inhibition at 0.01 mM
[2-(2-methyl-1H-indol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
about 30% inhibition at 0.01 mM
[2-(2-tert-butyl-1H-indol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
about 79% inhibition at 0.01 mM
[2-(3-chlorophenyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)
-
-
[2-(3-fluorophenyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)
-
-
[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid
-
-
[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
[2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid
-
-
[2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid
-
-
[2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid
-
-
[2-(npropylamino)ethane-1,1-diyl]bisphosphonic acid
-
-
[2-[(2-methylprop-2-en-1-yl)amino]ethane-1,1-diyl]bis(phosphonic acid)
-
-
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-4-yl]-1-fluoroethane-1,1-diyl]bis(phosphonic acid)
-
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-3-yl]-1-fluoroethane-1,1-diyl]bis(phosphonic acid)
-
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-yl]-1-fluoroethane-1,1-diyl]bis(phosphonic acid)
-
[6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)
i.e. NE-10501, chiral analog of risedronate. Crystallization of human enzyme from a solution of racemic NE-10501 results in a complex containing the R enantiomer in the enzyme active site
[Co(II)(pamidronate)2(H2O)2]
-
-
-
[Co(II)(risedronate)2]
-
-
-
[Co(II)2(alendronate)4(H2O)2]
-
-
-
[Cu(II)(risedronate)2]
-
-
-
[Cu(II)2(alendronate)4(H2O)2]
-
-
-
[Mn(II)(pamidronate)2(H2O)2]
-
-
-
[Mn(II)(risedronate)2]
-
-
-
[Mn(II)2(alendronate)4(H2O)2]
-
-
-
[Ni(II)(pamidronate)2(H2O)2]
-
-
-
[Ni(II)(risedronate)2]
-
-
-
[Ni(II)2(alendronate)4(H2O)2]
-
-
-
{2-[(1-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino]ethane-1,1-diyl}bis(phosphonic acid)
about 65% inhibition at 0.01 mM
{2-[(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethane-1,1-diyl}bis(phosphonic acid)
about 10% inhibition at 0.01 mM
{2-[1-(propan-2-yl)-1H-indol-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
about 45% inhibition at 0.01 mM
{2-[2-(1-cyclopentylethyl)-1H-indol-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
about 90% inhibition at 0.01 mM
{2-[2-(3-methylbutan-2-yl)-1H-indol-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
about 85% inhibition at 0.01 mM
{2-[2-(3-methylbutan-2-yl)-5-phenyl-1H-indol-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
about 95% inhibition at 0.01 mM
1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
-
1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
-
-
1-[(benzylamino)ethyl] 1,1-bisphosphonic acid
-
1-[(benzylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-dec-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
1-[(n-dec-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-dodec-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
1-[(n-dodec-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-hept-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-hept-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-hex-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-hex-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-non-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
1-[(n-non-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-oct-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-oct-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(n-tetradec-1-ylamino)ethyl] 1,1-bisphosphonic acid
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1-[(n-tetradec-1-ylamino)ethyl] 1,1-bisphosphonic acid
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-
1-[(n-undec-1-ylamino)ethyl] 1,1-bisphosphonic acid
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1-[(n-undec-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(prop-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(prop-1-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(prop-2-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
1-[(prop-2-ylamino)ethyl] 1,1-bisphosphonic acid
-
-
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-4,4a-dihydro-3H-xanthen-3-one
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2,6,7-trihydroxy-9-(2-hydroxyphenyl)-4,4a-dihydro-3H-xanthen-3-one
-
-
3-butyl-1-(2,2-diphosphonoethyl)pyridinium
-
-
3-butyl-1-(2,2-diphosphonoethyl)pyridinium
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alendronate
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alendronate
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twelve weeks of alendronate treatment attenuates the left ventricular weight to body weight ratio, hydroxyproline content, collagen deposition in the interstitia, and gene expression of atrial natriuretic peptide, B-type natriuretic peptide, and procollagen type I/III in the SHR left ventricle, all of which are significantly higher in spontaneously hypertensive rats than in control rats. Long-term treatment with inhibitor significantly reduces RhoA activation, ERK phosphorylation, and TGF-b1 expression in the spontaneously hypertensive rat left ventricle, all ofwhich were upregulated more in spontaneously hypertensive rats than in control rats
alendronate
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i.e. 4-amino-1-hydroxybutane-1,1-diylphosphonic acid
arenarone
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celastrol
-
farnesyl diphosphate
-
0.06 mM, 50% inhibition
farnesyl diphosphate
allosteric product inhibition. the product can trap the enzyme in an unreactive state by binding to its allosteric pocket
ibandronate
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iodoacetamide
Pumpkin
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5 mM, 31% inhibition
iodoacetamide
-
8 mM, 33% inhibition
isopentenyl diphosphate
-
-
isopentenyl diphosphate
-
substrate inhibition
Mn2+
-
strong inhibition above 0.1 mM, activation below
Mn2+
-
activates at 0.25-0.50 mM, inhibition above
pamidronate
-
pamidronate
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i.e. 3-amino-1-hydroxypropane-1,1-diylphosphonic acid
risedronate
about 98% inhibition at 100 mM
risedronate
-
i.e. 1-hydroxy-2-(pyridin-3-yl)ethane-1,1-diylphosphonic acid
taxodione
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taxodone
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zoledronate
-
zoledronic acid
-
-
[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
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[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
-
-
[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
competitive inhibitor
[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
-
competitive inhibitor
additional information
Monte carlo optimization method using CORAL software is used successfully for designing a statistically robust QSAR model for human farnesyl pyrophosphate synthase inhibitors
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additional information
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Monte carlo optimization method using CORAL software is used successfully for designing a statistically robust QSAR model for human farnesyl pyrophosphate synthase inhibitors
-
additional information
the enzyme possesses three inhibition binding sites: the allylic site (dimethyl allyl pyrophosphate and geranyl pyrophosphate), the homoallylic site (isopentenyl pyrophosphate), and the allosteric site. Bisphosphonate-based inhibitors are extremely effective inhibitors binding to the allylic site
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additional information
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the enzyme possesses three inhibition binding sites: the allylic site (dimethyl allyl pyrophosphate and geranyl pyrophosphate), the homoallylic site (isopentenyl pyrophosphate), and the allosteric site. Bisphosphonate-based inhibitors are extremely effective inhibitors binding to the allylic site
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additional information
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neither iodoacetamide nor N-ethylmaleimide inhibits at concentration less than 5 mM
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