Found 11 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304655
((4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4-(3-meth...)Show SMILES COc1cccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3ccc(F)cc23)C2CC2)c1 |r| Show InChI InChI=1S/C26H24FNO4S/c1-31-18-3-2-4-20(14-18)33-26-21(9-8-19-12-17(29)13-24(30)32-19)25(15-5-6-15)28-23-10-7-16(27)11-22(23)26/h2-4,7-11,14-15,17,19,29H,5-6,12-13H2,1H3/b9-8+/t17-,19-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304654
((4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4-(4-fluo...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Sc2ccc(F)cc2)c2cc(F)ccc2nc1C1CC1 |r| Show InChI InChI=1S/C25H21F2NO3S/c26-15-3-7-19(8-4-15)32-25-20(9-6-18-12-17(29)13-23(30)31-18)24(14-1-2-14)28-22-10-5-16(27)11-21(22)25/h3-11,14,17-18,29H,1-2,12-13H2/b9-6+/t17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304661
(4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4,7-di(3-m...)Show SMILES COc1cccc(Sc2cc3nc(C4CC4)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4cccc(OC)c4)c3cc2F)c1 |r| Show InChI InChI=1S/C33H30FNO5S2/c1-38-21-5-3-7-24(15-21)41-30-18-29-27(17-28(30)34)33(42-25-8-4-6-22(16-25)39-2)26(32(35-29)19-9-10-19)12-11-23-13-20(36)14-31(37)40-23/h3-8,11-12,15-20,23,36H,9-10,13-14H2,1-2H3/b12-11+/t20-,23-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50371229
(Livalo | PITAVASTATIN CALCIUM | cid_24848419)Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304653
((4R,6S)-6-((E)-2-(2-cyclopropyl-4-(4-isopropylphen...)Show SMILES CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3ccccc23)C2CC2)cc1 |r| Show InChI InChI=1S/C28H29NO3S/c1-17(2)18-9-12-22(13-10-18)33-28-23-5-3-4-6-25(23)29-27(19-7-8-19)24(28)14-11-21-15-20(30)16-26(31)32-21/h3-6,9-14,17,19-21,30H,7-8,15-16H2,1-2H3/b14-11+/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304656
((4R,6S)-6-((E)-2-(2-cyclopropyl-4-(4-fluorophenylt...)Show SMILES COc1ccc2nc(C3CC3)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(Sc3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C26H24FNO4S/c1-31-18-7-11-23-22(14-18)26(33-20-8-4-16(27)5-9-20)21(25(28-23)15-2-3-15)10-6-19-12-17(29)13-24(30)32-19/h4-11,14-15,17,19,29H,2-3,12-13H2,1H3/b10-6+/t17-,19-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304657
((4R,6S)-6-((E)-2-(2-cyclopropyl-4-(4-isopropylphen...)Show SMILES COc1ccc2nc(C3CC3)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(Sc3ccc(cc3)C(C)C)c2c1 |r| Show InChI InChI=1S/C29H31NO4S/c1-17(2)18-6-10-23(11-7-18)35-29-24(12-8-22-14-20(31)15-27(32)34-22)28(19-4-5-19)30-26-13-9-21(33-3)16-25(26)29/h6-13,16-17,19-20,22,31H,4-5,14-15H2,1-3H3/b12-8+/t20-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304660
((4R,6S)-6-((E)-2-(2-cyclopropyl-6-fluoro-4,7-bis(4...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Sc2ccc(F)cc2)c2cc(F)c(Sc3ccc(F)cc3)cc2nc1C1CC1 |r| Show InChI InChI=1S/C31H24F3NO3S2/c32-18-3-8-22(9-4-18)39-28-16-27-25(15-26(28)34)31(40-23-10-5-19(33)6-11-23)24(30(35-27)17-1-2-17)12-7-21-13-20(36)14-29(37)38-21/h3-12,15-17,20-21,36H,1-2,13-14H2/b12-7+/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304652
((4R,6S)-6-[(E)-2-[2-Cyclopropyl-4-(4-fluorothiophe...)Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Sc2ccc(F)cc2)c2ccccc2nc1C1CC1 |r| Show InChI InChI=1S/C25H22FNO3S/c26-16-7-10-19(11-8-16)31-25-20-3-1-2-4-22(20)27-24(15-5-6-15)21(25)12-9-18-13-17(28)14-23(29)30-18/h1-4,7-12,15,17-18,28H,5-6,13-14H2/b12-9+/t17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304658
((4R,6S)-6-((E)-2-(2-cyclopropyl-6,7-difluoro-4-(3-...)Show SMILES COc1cccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3cc(F)c(F)cc23)C2CC2)c1 |r| Show InChI InChI=1S/C26H23F2NO4S/c1-32-16-3-2-4-18(11-16)34-26-19(8-7-17-9-15(30)10-24(31)33-17)25(14-5-6-14)29-23-13-22(28)21(27)12-20(23)26/h2-4,7-8,11-15,17,30H,5-6,9-10H2,1H3/b8-7+/t15-,17-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50304659
((4R,6S)-6-((E)-2-(2-cyclopropyl-6,7-difluoro-4-(4-...)Show SMILES CC(C)c1ccc(Sc2c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(nc3cc(F)c(F)cc23)C2CC2)cc1 |r| Show InChI InChI=1S/C28H27F2NO3S/c1-15(2)16-5-8-20(9-6-16)35-28-21(10-7-19-11-18(32)12-26(33)34-19)27(17-3-4-17)31-25-14-24(30)23(29)13-22(25)28/h5-10,13-15,17-19,32H,3-4,11-12H2,1-2H3/b10-7+/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Industry
Curated by ChEMBL
| Assay Description
Inhibition of HMG CoA reductase by spectrophotometry |
Bioorg Med Chem 17: 7915-23 (2009)
Article DOI: 10.1016/j.bmc.2009.10.021
BindingDB Entry DOI: 10.7270/Q2D50NX1 |
More data for this
Ligand-Target Pair | |
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