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60 similar compounds to monomer 34168

Compile data set for download or QSAR
Wt: 458.5
BDBM50455629
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Wt: 436.5
BDBM18375
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Wt: 424.5
BDBM20688
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Wt: 404.5
BDBM50003235
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Wt: 406.5
BDBM86706
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Wt: 404.5
BDBM50004774
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Wt: 421.5
BDBM50006408
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Wt: 423.5
BDBM50006412
Wt: 388.4
BDBM50009407
Wt: 362.4
BDBM50009408
Wt: 360.4
BDBM50009410
Wt: 334.4
BDBM50009412
Wt: 374.5
BDBM50009415
Wt: 390.5
BDBM50011036
Purchase
Wt: 408.5
BDBM50020288
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50455629,18375,20688,50003235,86706,50004774,50006408,50006412,50009407,50009408,50009410,50009412,50009415,50011036,50020288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HMGCoA reductase


J Nat Prod 52: 153-161 (1989)


Article DOI: 10.1021/np50061a020
BindingDB Entry DOI: 10.7270/Q28052MW
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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PubMed
1.40n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, fluorometric assay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration


J Med Chem 30: 1858-73 (1987)


Article DOI: 10.1021/jm00393a030
BindingDB Entry DOI: 10.7270/Q2TX3DCD
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Organic anion-transporting polypeptide 1D1 (Oatp1d1)


(Danio rerio (Zebrafish))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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PubMed
9.27E+3n/an/an/an/an/an/an/an/a



Rudjer Boskovic Institute



Assay Description
In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...


J Biol Chem 288: 33894-911 (2013)


Article DOI: 10.1074/jbc.M113.518506
BindingDB Entry DOI: 10.7270/Q29Z93RK
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86706
PNG
(Pravastatin lactone)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86706
PNG
(Pravastatin lactone)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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PubMed
5.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat Oat1 expressed in pig LLC-PK11 cells


Bioorg Med Chem 19: 3320-40 (2011)


Article DOI: 10.1016/j.bmc.2011.04.045
BindingDB Entry DOI: 10.7270/Q2TB17WF
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Rattus norvegicus)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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PubMed
1.72E+5n/an/an/an/an/an/an/an/a



Toho University School of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat


Drug Metab Dispos 25: 1123-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CR5VMX
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...


J Med Chem 55: 4740-63 (2012)


Article DOI: 10.1021/jm300212s
BindingDB Entry DOI: 10.7270/Q2765GFC
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Rattus norvegicus)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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1.15E+6n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells


J Pharmacol Exp Ther 300: 746-53 (2002)


Article DOI: 10.1124/jpet.300.3.746
BindingDB Entry DOI: 10.7270/Q2FQ9XW4
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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n/an/a 13n/a 17n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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n/an/a 18n/an/an/an/a7.237



Pfizer



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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n/an/a 4.30n/a 6.20n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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n/an/a 31.6n/a 29n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of human HMGR catalytic domain using 800 uM HMG-CoA as substrate measured every 20 secs for 10 mins


J Nat Prod 79: 1500-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00961
BindingDB Entry DOI: 10.7270/Q2BP04R4
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50003235
PNG
(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against HMG-CoA reductase


J Med Chem 35: 3813-21 (1992)


Article DOI: 10.1021/jm00099a009
BindingDB Entry DOI: 10.7270/Q27M06VP
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


J Med Chem 34: 357-66 (1991)


Article DOI: 10.1021/jm00105a056
BindingDB Entry DOI: 10.7270/Q2NV9H6F
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


J Med Chem 34: 367-73 (1991)


Article DOI: 10.1021/jm00105a057
BindingDB Entry DOI: 10.7270/Q2J38RHG
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


J Med Chem 34: 367-73 (1991)


Article DOI: 10.1021/jm00105a057
BindingDB Entry DOI: 10.7270/Q2J38RHG
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase of rat liver


J Med Chem 33: 61-70 (1990)


Article DOI: 10.1021/jm00163a011
BindingDB Entry DOI: 10.7270/Q22V2F4S
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)


J Med Chem 33: 61-70 (1990)


Article DOI: 10.1021/jm00163a011
BindingDB Entry DOI: 10.7270/Q22V2F4S
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50009407
PNG
(But-3-enoic acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-...)
Show SMILES C[C@@H]1C[C@H](OC(=O)CC=C)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C23H32O5/c1-4-5-21(25)28-20-11-14(2)10-16-7-6-15(3)19(23(16)20)9-8-18-12-17(24)13-22(26)27-18/h4,6-7,10,14-15,17-20,23-24H,1,5,8-9,11-13H2,2-3H3/t14-,15-,17+,18?,19-,20-,23-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against rat liver HMG-CoA reductase enzyme


J Med Chem 34: 2474-7 (1991)


Article DOI: 10.1021/jm00112a024
BindingDB Entry DOI: 10.7270/Q29S1Q0D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50009408
PNG
(Acetic acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran...)
Show SMILES C[C@@H]1C[C@H](OC(C)=O)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C21H30O5/c1-12-8-15-5-4-13(2)18(21(15)19(9-12)25-14(3)22)7-6-17-10-16(23)11-20(24)26-17/h4-5,8,12-13,16-19,21,23H,6-7,9-11H2,1-3H3/t12-,13-,16+,17?,18-,19-,21-/m0/s1
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n/an/a 269n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against rat liver HMG-CoA reductase enzyme


J Med Chem 34: 2474-7 (1991)


Article DOI: 10.1021/jm00112a024
BindingDB Entry DOI: 10.7270/Q29S1Q0D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50009410
PNG
(6-[2-(8-Allyloxy-2,6-dimethyl-1,2,6,7,8,8a-hexahyd...)
Show SMILES C[C@@H]1C[C@H](OCC=C)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C22H32O4/c1-4-9-25-20-11-14(2)10-16-6-5-15(3)19(22(16)20)8-7-18-12-17(23)13-21(24)26-18/h4-6,10,14-15,17-20,22-23H,1,7-9,11-13H2,2-3H3/t14-,15-,17+,18?,19-,20-,22-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against rat liver HMG-CoA reductase enzyme


J Med Chem 34: 2474-7 (1991)


Article DOI: 10.1021/jm00112a024
BindingDB Entry DOI: 10.7270/Q29S1Q0D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50009412
PNG
(4-Hydroxy-6-[2-(8-methoxy-2,6-dimethyl-1,2,6,7,8,8...)
Show SMILES CO[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C20H30O4/c1-12-8-14-5-4-13(2)17(20(14)18(9-12)23-3)7-6-16-10-15(21)11-19(22)24-16/h4-5,8,12-13,15-18,20-21H,6-7,9-11H2,1-3H3/t12-,13-,15+,16?,17-,18-,20-/m0/s1
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n/an/a 2.81E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against rat liver HMG-CoA reductase enzyme


J Med Chem 34: 2474-7 (1991)


Article DOI: 10.1021/jm00112a024
BindingDB Entry DOI: 10.7270/Q29S1Q0D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50009415
PNG
(6-{2-[2,6-Dimethyl-8-(2-methyl-allyloxy)-1,2,6,7,8...)
Show SMILES C[C@@H]1C[C@H](OCC(C)=C)[C@@H]2[C@@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
Show InChI InChI=1S/C23H34O4/c1-14(2)13-26-21-10-15(3)9-17-6-5-16(4)20(23(17)21)8-7-19-11-18(24)12-22(25)27-19/h5-6,9,15-16,18-21,23-24H,1,7-8,10-13H2,2-4H3/t15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against rat liver HMG-CoA reductase enzyme


J Med Chem 34: 2474-7 (1991)


Article DOI: 10.1021/jm00112a024
BindingDB Entry DOI: 10.7270/Q29S1Q0D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50020288
PNG
(3,5-Dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-bu...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(O)=O)C12
Show InChI InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17?,18+,19-,20-,22?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


Article DOI: 10.1021/jm00121a036
BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats


J Med Chem 33: 21-31 (1990)


Article DOI: 10.1021/jm00163a005
BindingDB Entry DOI: 10.7270/Q2XG9RR6
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HMG CoA reductase


J Med Chem 28: 347-58 (1985)


Article DOI: 10.1021/jm00381a014
BindingDB Entry DOI: 10.7270/Q2VM4B8T
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


Article DOI: 10.1021/jm50001a011
BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)


Article DOI: 10.1021/jm00017a004
BindingDB Entry DOI: 10.7270/Q2WQ02TH
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50455629
PNG
(CHEMBL487720)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
Show InChI InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
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n/an/a 12n/an/an/an/an/an/a



British Bio-technology Limited

Curated by ChEMBL


Assay Description
Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line


J Med Chem 35: 3388-93 (1992)


Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50455629
PNG
(CHEMBL487720)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
Show InChI InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
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n/an/a 3n/an/an/an/an/an/a



British Bio-technology Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against HMG-CoA reductase from rat liver microsomal preparation


J Med Chem 35: 3388-93 (1992)


Article DOI: 10.1021/jm00096a015
BindingDB Entry DOI: 10.7270/Q2HD7W9V
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Tested for inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 37: 3240-6 (1994)


Article DOI: 10.1021/jm00046a007
BindingDB Entry DOI: 10.7270/Q25H7F9D
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50006412
PNG
((3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydro...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16?,17-,18+,19-,20-,22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal HMG-CoA reductase


J Med Chem 36: 3658-62 (1994)


Article DOI: 10.1021/jm00075a021
BindingDB Entry DOI: 10.7270/Q2SJ1JP7
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50006412
PNG
((3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydro...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16?,17-,18+,19-,20-,22-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
In vitro HMG-CoA reductase inhibitory activity of the compound to inhibit sterol synthesis in cell free system in rat


Bioorg Med Chem Lett 11: 1285-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00203-7
BindingDB Entry DOI: 10.7270/Q26D5S8M
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50006412
PNG
((3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydro...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16?,17-,18+,19-,20-,22-/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
In vitro HMG-CoA reductase inhibitory activity of the compound to inhibit cellular steroidgenesis in Hep G2 cells (human hepatoma cell line)


Bioorg Med Chem Lett 11: 1285-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00203-7
BindingDB Entry DOI: 10.7270/Q26D5S8M
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 1.68E+4n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Albino rabbit intestinal mucosa


Bioorg Med Chem Lett 17: 1946-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.027
BindingDB Entry DOI: 10.7270/Q23J3CMT
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against HMG-CoA reductase from rat hepatocyte


Bioorg Med Chem Lett 2: 1085-1088 (1992)


Article DOI: 10.1016/S0960-894X(00)80623-X
BindingDB Entry DOI: 10.7270/Q2NG4QJQ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against HMG-CoA reductase in HepG2 cells


Bioorg Med Chem Lett 2: 1085-1088 (1992)


Article DOI: 10.1016/S0960-894X(00)80623-X
BindingDB Entry DOI: 10.7270/Q2NG4QJQ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Mus musculus)
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibitory activity against isolated enzyme HMG-CoA reductase


Bioorg Med Chem Lett 2: 1085-1088 (1992)


Article DOI: 10.1016/S0960-894X(00)80623-X
BindingDB Entry DOI: 10.7270/Q2NG4QJQ
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of microsomal rat liver HMG-CoA reductase


Bioorg Med Chem Lett 2: 223-228 (1992)


Article DOI: 10.1016/S0960-894X(01)81069-6
BindingDB Entry DOI: 10.7270/Q28C9W59
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation


Bioorg Med Chem Lett 7: 549-554 (1997)


Article DOI: 10.1016/S0960-894X(97)00065-6
BindingDB Entry DOI: 10.7270/Q2RB74NQ
More data for this
Ligand-Target Pair
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