Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50020625 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)) | BDBM50215676
(CHEMBL228955 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c2CCCN(c3ccccc3)C(=O)c12)-c1ccc(F)cc1 Show InChI InChI=1S/C30H35FN2O5/c1-19(2)33-26(15-14-23(34)17-24(35)18-27(36)37)28(20-10-12-21(31)13-11-20)25-9-6-16-32(30(38)29(25)33)22-7-4-3-5-8-22/h3-5,7-8,10-13,19,23-24,34-35H,6,9,14-18H2,1-2H3,(H,36,37)/p-1/t23-,24-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215666
((3R,5R)-7-(3,4-bis(4-fluorophenyl)-1-isopropyl-5-(...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H34F2N2O5/c1-20(2)37-28(17-16-26(38)18-27(39)19-29(40)41)30(21-8-12-23(34)13-9-21)31(22-10-14-24(35)15-11-22)32(37)33(42)36-25-6-4-3-5-7-25/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215672
(CHEMBL228528 | sodium (3R,5R)-7-(5-(3-fluorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(F)c1)c1ccccc21 Show InChI InChI=1S/C33H32F2N2O5/c1-19(2)36-28(15-14-24(38)17-25(39)18-29(40)41)30(20-10-12-21(34)13-11-20)31-26-8-3-4-9-27(26)37(33(42)32(31)36)23-7-5-6-22(35)16-23/h3-13,16,19,24-25,38-39H,14-15,17-18H2,1-2H3,(H,40,41)/p-1/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215669
(CHEMBL389216 | sodium (3R,5R)-7-(5-(3-chlorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(Cl)c1)c1ccccc21 Show InChI InChI=1S/C33H32ClFN2O5/c1-19(2)36-28(15-14-24(38)17-25(39)18-29(40)41)30(20-10-12-22(35)13-11-20)31-26-8-3-4-9-27(26)37(33(42)32(31)36)23-7-5-6-21(34)16-23/h3-13,16,19,24-25,38-39H,14-15,17-18H2,1-2H3,(H,40,41)/p-1/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215673
((3R,5R)-7-(5-(benzyl(methyl)carbamoyl)-3-(4-fluoro...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)N(C)Cc1ccccc1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H39FN2O5/c1-23(2)38-30(19-18-28(39)20-29(40)21-31(41)42)32(26-14-16-27(36)17-15-26)33(25-12-8-5-9-13-25)34(38)35(43)37(3)22-24-10-6-4-7-11-24/h4-17,23,28-29,39-40H,18-22H2,1-3H3,(H,41,42)/t28-,29-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215675
(CHEMBL389442 | sodium (3R,5R)-7-(5-(2-fluorobenzyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1F)c1ccccc21 Show InChI InChI=1S/C34H34F2N2O5/c1-20(2)38-29(16-15-24(39)17-25(40)18-30(41)42)31(21-11-13-23(35)14-12-21)32-26-8-4-6-10-28(26)37(34(43)33(32)38)19-22-7-3-5-9-27(22)36/h3-14,20,24-25,39-40H,15-19H2,1-2H3,(H,41,42)/p-1/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215667
(CHEMBL387514 | sodium (3R,5R)-7-(7-benzyl-3-(4-flu...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c2CCCN(Cc3ccccc3)C(=O)c12)-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN2O5/c1-20(2)34-27(15-14-24(35)17-25(36)18-28(37)38)29(22-10-12-23(32)13-11-22)26-9-6-16-33(31(39)30(26)34)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,20,24-25,35-36H,6,9,14-19H2,1-2H3,(H,37,38)/p-1/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215678
(CHEMBL389443 | sodium (3R,5R)-7-(5-(4-fluorobenzyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccc(F)cc1)c1ccccc21 Show InChI InChI=1S/C34H34F2N2O5/c1-20(2)38-29(16-15-25(39)17-26(40)18-30(41)42)31(22-9-13-24(36)14-10-22)32-27-5-3-4-6-28(27)37(34(43)33(32)38)19-21-7-11-23(35)12-8-21/h3-14,20,25-26,39-40H,15-19H2,1-2H3,(H,41,42)/p-1/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215668
(CHEMBL228667 | sodium; (3R,5R)-7-[1-(4-fluoro-phen...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c-2c1C(=O)N(Cc1ccccc-21)c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H35FN2O5/c1-21(2)37-29(17-16-26(38)18-27(39)19-30(40)41)31(22-12-14-24(35)15-13-22)32-28-11-7-6-8-23(28)20-36(34(42)33(32)37)25-9-4-3-5-10-25/h3-15,21,26-27,38-39H,16-20H2,1-2H3,(H,40,41)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215674
(CHEMBL228954 | sodium (3R,5R)-7-(1-(4-fluorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)[nH]c1ccccc21 Show InChI InChI=1S/C27H29FN2O5/c1-15(2)30-22(12-11-18(31)13-19(32)14-23(33)34)24(16-7-9-17(28)10-8-16)25-20-5-3-4-6-21(20)29-27(35)26(25)30/h3-10,15,18-19,31-32H,11-14H2,1-2H3,(H,29,35)(H,33,34)/p-1/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215671
(CHEMBL389441 | sodium (3R,5R)-7-(5-benzyl-1-(4-flu...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1)c1ccccc21 Show InChI InChI=1S/C34H35FN2O5/c1-21(2)37-29(17-16-25(38)18-26(39)19-30(40)41)31(23-12-14-24(35)15-13-23)32-27-10-6-7-11-28(27)36(34(42)33(32)37)20-22-8-4-3-5-9-22/h3-15,21,25-26,38-39H,16-20H2,1-2H3,(H,40,41)/p-1/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215679
(CHEMBL389217 | sodium (3R,5R)-7-(1,5-bis(4-fluorop...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1ccc(F)cc1)c1ccccc21 Show InChI InChI=1S/C33H32F2N2O5/c1-19(2)36-28(16-15-24(38)17-25(39)18-29(40)41)30(20-7-9-21(34)10-8-20)31-26-5-3-4-6-27(26)37(33(42)32(31)36)23-13-11-22(35)12-14-23/h3-14,19,24-25,38-39H,15-18H2,1-2H3,(H,40,41)/p-1/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215677
(CHEMBL438662 | sodium (3R,5R)-7-(1-(4-fluorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(-c1ccccc1)c1ccccc21 Show InChI InChI=1S/C33H33FN2O5/c1-20(2)35-28(17-16-24(37)18-25(38)19-29(39)40)30(21-12-14-22(34)15-13-21)31-26-10-6-7-11-27(26)36(33(41)32(31)35)23-8-4-3-5-9-23/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,39,40)/p-1/t24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215670
(CHEMBL228583 | sodium (3R,5R)-7-(5-(3-fluorobenzyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1cccc(F)c1)c1ccccc21 Show InChI InChI=1S/C34H34F2N2O5/c1-20(2)38-29(15-14-25(39)17-26(40)18-30(41)42)31(22-10-12-23(35)13-11-22)32-27-8-3-4-9-28(27)37(34(43)33(32)38)19-21-6-5-7-24(36)16-21/h3-13,16,20,25-26,39-40H,14-15,17-19H2,1-2H3,(H,41,42)/p-1/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50139181
((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)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]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12| Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HMGCoA reductase |
Bioorg Med Chem Lett 17: 4531-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.097
BindingDB Entry DOI: 10.7270/Q2X929Z4 |
More data for this
Ligand-Target Pair | |
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