BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 506 hits with Last Name = 'sorenson' and Initial = 'rj'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148780
PNG
(((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...)
Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO
Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148765
PNG
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)
Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO
Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Glucose-6-phosphate isomerase


(Oryctolagus cuniculus)
BDBM50342610
PNG
((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...)
Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r|
Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of rabbit cytosolic phosphoglucose isomerase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
6-phosphogluconate dehydrogenase, decarboxylating


(Ovis aries)
BDBM50148765
PNG
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)
Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO
Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
360n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of sheep 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating


(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.52E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))
BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Triosephosphate isomerase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
Ribose-5-phosphate isomerase B


(Mycobacterium tuberculosis)
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis rpiB


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribose-5-phosphate isomerase B


(Mycobacterium tuberculosis)
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis rpiB


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribose-5-phosphate isomerase B


(Mycobacterium tuberculosis)
BDBM50148769
PNG
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)
Show SMILES NC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>3.00E+7n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis rpiB


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215692
PNG
(CHEMBL400874 | sodium (3R,5R)-7-(5-((4-cyanobenzyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C#N)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H36FN3O5/c1-22(2)39-30(17-16-28(40)18-29(41)19-31(42)43)32(26-12-14-27(36)15-13-26)33(25-6-4-3-5-7-25)34(39)35(44)38-21-24-10-8-23(20-37)9-11-24/h3-15,22,28-29,40-41H,16-19,21H2,1-2H3,(H,38,44)(H,42,43)/p-1/t28-,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215693
PNG
(CHEMBL437774 | sodium (3R,5R)-7-(5-((4-carboxyphen...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(O)=O)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H35FN2O7/c1-20(2)37-28(17-16-26(38)18-27(39)19-29(40)41)30(22-8-12-24(35)13-9-22)31(21-6-4-3-5-7-21)32(37)33(42)36-25-14-10-23(11-15-25)34(43)44/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)(H,43,44)/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/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215689
PNG
(CHEMBL250317 | sodium (3R,5R)-7-(5-((4-carbamoylph...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(N)=O)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H36FN3O6/c1-20(2)38-28(17-16-26(39)18-27(40)19-29(41)42)30(22-8-12-24(35)13-9-22)31(21-6-4-3-5-7-21)32(38)34(44)37-25-14-10-23(11-15-25)33(36)43/h3-15,20,26-27,39-40H,16-19H2,1-2H3,(H2,36,43)(H,37,44)(H,41,42)/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/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215688
PNG
(CHEMBL399773 | sodium (3R,5R)-7-(5-((3-(dimethylca...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1cccc(c1)C(=O)N(C)C)-c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H39F2N3O6/c1-21(2)41-30(17-16-28(42)19-29(43)20-31(44)45)32(22-8-12-25(37)13-9-22)33(23-10-14-26(38)15-11-23)34(41)35(46)39-27-7-5-6-24(18-27)36(47)40(3)4/h5-15,18,21,28-29,42-43H,16-17,19-20H2,1-4H3,(H,39,46)(H,44,45)/p-1/t28-,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215700
PNG
(CHEMBL400973 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(O)cc1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN2O6/c1-20(2)36-28(17-16-26(38)18-27(39)19-29(40)41)30(22-8-10-23(34)11-9-22)31(21-6-4-3-5-7-21)32(36)33(42)35-24-12-14-25(37)15-13-24/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(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/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215704
PNG
(CHEMBL398551 | sodium (3R,5R)-7-(5-(((1,5-dimethyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cc(C)n(C)n1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H39FN4O5/c1-20(2)38-28(15-14-26(39)17-27(40)18-29(41)42)30(23-10-12-24(34)13-11-23)31(22-8-6-5-7-9-22)32(38)33(43)35-19-25-16-21(3)37(4)36-25/h5-13,16,20,26-27,39-40H,14-15,17-19H2,1-4H3,(H,35,43)(H,41,42)/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/an/a 0.600n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215707
PNG
(CHEMBL250749 | sodium (3R,5R)-7-(5-((4-(methoxymet...)
Show SMILES COCc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C36H41FN2O6/c1-23(2)39-31(18-17-29(40)19-30(41)20-32(42)43)33(27-13-15-28(37)16-14-27)34(26-7-5-4-6-8-26)35(39)36(44)38-21-24-9-11-25(12-10-24)22-45-3/h4-16,23,29-30,40-41H,17-22H2,1-3H3,(H,38,44)(H,42,43)/p-1/t29-,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215699
PNG
(CHEMBL400747 | sodium (3R,5R)-7-(3,4-bis(4-fluorop...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1cccc(O)c1)-c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H34F2N2O6/c1-19(2)37-28(15-14-26(39)17-27(40)18-29(41)42)30(20-6-10-22(34)11-7-20)31(21-8-12-23(35)13-9-21)32(37)33(43)36-24-4-3-5-25(38)16-24/h3-13,16,19,26-27,38-40H,14-15,17-18H2,1-2H3,(H,36,43)(H,41,42)/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/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215690
PNG
(CHEMBL399313 | sodium (3R,5R)-7-(5-(benzylcarbamoy...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccc1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H37FN2O5/c1-22(2)37-29(18-17-27(38)19-28(39)20-30(40)41)31(25-13-15-26(35)16-14-25)32(24-11-7-4-8-12-24)33(37)34(42)36-21-23-9-5-3-6-10-23/h3-16,22,27-28,38-39H,17-21H2,1-2H3,(H,36,42)(H,40,41)/p-1/t27-,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215708
PNG
(CHEMBL249724 | sodium (3R,5R)-7-(5-((4-methoxybenz...)
Show SMILES COc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C35H39FN2O6/c1-22(2)38-30(18-15-27(39)19-28(40)20-31(41)42)32(25-11-13-26(36)14-12-25)33(24-7-5-4-6-8-24)34(38)35(43)37-21-23-9-16-29(44-3)17-10-23/h4-14,16-17,22,27-28,39-40H,15,18-21H2,1-3H3,(H,37,43)(H,41,42)/p-1/t27-,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215684
PNG
(CHEMBL398240 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccn1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H36FN3O5/c1-21(2)37-28(16-15-26(38)18-27(39)19-29(40)41)30(23-11-13-24(34)14-12-23)31(22-8-4-3-5-9-22)32(37)33(42)36-20-25-10-6-7-17-35-25/h3-14,17,21,26-27,38-39H,15-16,18-20H2,1-2H3,(H,36,42)(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/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215698
PNG
(CHEMBL251499 | sodium (3R,5R)-7-(5-((4-(dimethylca...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C(=O)N(C)C)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H42FN3O6/c1-23(2)41-31(19-18-29(42)20-30(43)21-32(44)45)33(26-14-16-28(38)17-15-26)34(25-8-6-5-7-9-25)35(41)36(46)39-22-24-10-12-27(13-11-24)37(47)40(3)4/h5-17,23,29-30,42-43H,18-22H2,1-4H3,(H,39,46)(H,44,45)/p-1/t29-,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215694
PNG
(CHEMBL249906 | sodium (3R,5R)-7-(5-((3-carbamoylbe...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cccc(c1)C(N)=O)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H38FN3O6/c1-21(2)39-29(16-15-27(40)18-28(41)19-30(42)43)31(24-11-13-26(36)14-12-24)32(23-8-4-3-5-9-23)33(39)35(45)38-20-22-7-6-10-25(17-22)34(37)44/h3-14,17,21,27-28,40-41H,15-16,18-20H2,1-2H3,(H2,37,44)(H,38,45)(H,42,43)/p-1/t27-,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215683
PNG
(CHEMBL403127 | sodium (3R,5R)-7-(5-((4-(dimethylca...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(=O)N(C)C)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H40FN3O6/c1-22(2)40-30(19-18-28(41)20-29(42)21-31(43)44)32(24-10-14-26(37)15-11-24)33(23-8-6-5-7-9-23)34(40)35(45)38-27-16-12-25(13-17-27)36(46)39(3)4/h5-17,22,28-29,41-42H,18-21H2,1-4H3,(H,38,45)(H,43,44)/p-1/t28-,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215691
PNG
(CHEMBL398239 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1nc(C)cs1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H36FN3O5S/c1-19(2)36-26(14-13-24(37)15-25(38)16-28(39)40)29(22-9-11-23(33)12-10-22)30(21-7-5-4-6-8-21)31(36)32(41)34-17-27-35-20(3)18-42-27/h4-12,18-19,24-25,37-38H,13-17H2,1-3H3,(H,34,41)(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/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215706
PNG
(CHEMBL399315 | sodium (3R,5R)-7-(5-((3-methoxybenz...)
Show SMILES COc1cccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)c1
Show InChI InChI=1S/C35H39FN2O6/c1-22(2)38-30(17-16-27(39)19-28(40)20-31(41)42)32(25-12-14-26(36)15-13-25)33(24-9-5-4-6-10-24)34(38)35(43)37-21-23-8-7-11-29(18-23)44-3/h4-15,18,22,27-28,39-40H,16-17,19-21H2,1-3H3,(H,37,43)(H,41,42)/p-1/t27-,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM18374
PNG
(CHEMBL394937 | Pyrrole-based compound, 30 | sodium...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18390
PNG
((3R,5S)-6-[(3-{[(2,3-difluorophenyl)methyl]carbamo...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(F)c1F)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28F3N3O6/c1-14(2)22-24(25(37)30-12-15-4-3-5-20(28)23(15)29)31-32(17-8-6-16(27)7-9-17)26(22)38-13-19(34)10-18(33)11-21(35)36/h3-9,14,18-19,33-34H,10-13H2,1-2H3,(H,30,37)(H,35,36)/t18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18427
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(3R)-3-phenylpip...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCC[C@@H](C1)c1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H38FN3O5/c1-20(2)29-27(15-14-25(36)17-26(37)18-28(38)39)35(24-12-10-23(32)11-13-24)33-30(29)31(40)34-16-6-9-22(19-34)21-7-4-3-5-8-21/h3-5,7-8,10-13,20,22,25-26,36-37H,6,9,14-19H2,1-2H3,(H,38,39)/t22-,25+,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215686
PNG
(CHEMBL401293 | sodium (3R,5R)-7-(5-((4-carboxybenz...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C(O)=O)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H37FN2O7/c1-21(2)38-29(17-16-27(39)18-28(40)19-30(41)42)31(24-12-14-26(36)15-13-24)32(23-6-4-3-5-7-23)33(38)34(43)37-20-22-8-10-25(11-9-22)35(44)45/h3-15,21,27-28,39-40H,16-20H2,1-2H3,(H,37,43)(H,41,42)(H,44,45)/p-1/t27-,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18425
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(4-methylphenyl)...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O5/c1-17(2)26-24(13-12-22(33)14-23(34)15-25(35)36)32(21-10-8-20(29)9-11-21)31-27(26)28(37)30-16-19-6-4-18(3)5-7-19/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36)/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215696
PNG
(CHEMBL400560 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cc(C)n[nH]1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H37FN4O5/c1-19(2)37-27(14-13-25(38)16-26(39)17-28(40)41)29(22-9-11-23(33)12-10-22)30(21-7-5-4-6-8-21)31(37)32(42)34-18-24-15-20(3)35-36-24/h4-12,15,19,25-26,38-39H,13-14,16-18H2,1-3H3,(H,34,42)(H,35,36)(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/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50213331
PNG
(2-(5-((4-methyl-2-(trifluoromethyl)thiazol-5-yl)me...)
Show SMILES Cc1nc(sc1CSc1ccc2n(CC(O)=O)ccc2c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O2S2/c1-9-13(25-15(20-9)16(17,18)19)8-24-11-2-3-12-10(6-11)4-5-21(12)7-14(22)23/h2-6H,7-8H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215680
PNG
(CHEMBL250953 | sodium (3R,5R)-7-[3-(4-fluoro-pheny...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H36FN3O7S/c1-20(2)37-28(17-14-25(38)18-26(39)19-29(40)41)30(22-8-10-23(34)11-9-22)31(21-6-4-3-5-7-21)32(37)33(42)36-24-12-15-27(16-13-24)45(35,43)44/h3-13,15-16,20,25-26,38-39H,14,17-19H2,1-2H3,(H,36,42)(H,40,41)(H2,35,43,44)/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/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215687
PNG
(CHEMBL438694 | sodium (3R,5R)-7-(5-carbamoyl-3-(4-...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(N)=O)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H31FN2O5/c1-16(2)30-22(13-12-20(31)14-21(32)15-23(33)34)24(18-8-10-19(28)11-9-18)25(26(30)27(29)35)17-6-4-3-5-7-17/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H2,29,35)(H,33,34)/p-1/t20-,21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50213326
PNG
(2-(6-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiaz...)
Show SMILES Cc1nc(sc1COc1ccc2c(CC(O)=O)csc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3NO3S2/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)10-29-16-6-7-17-14(8-20(27)28)11-30-18(17)9-16/h2-7,9,11H,8,10H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215685
PNG
(CHEMBL249273 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ncc(C)[nH]1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H37FN4O5/c1-19(2)37-26(14-13-24(38)15-25(39)16-28(40)41)29(22-9-11-23(33)12-10-22)30(21-7-5-4-6-8-21)31(37)32(42)35-18-27-34-17-20(3)36-27/h4-12,17,19,24-25,38-39H,13-16,18H2,1-3H3,(H,34,36)(H,35,42)(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/an/a 3.40n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50213330
PNG
(2-(6-(4-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1csc2cc(OCc3ccc(COc4ccc(cc4)C(F)(F)F)cc3)ccc12
Show InChI InChI=1S/C25H19F3O4S/c26-25(27,28)19-5-7-20(8-6-19)31-13-16-1-3-17(4-2-16)14-32-21-9-10-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50215682
PNG
(CHEMBL250707 | sodium (3R,5R)-7-(5-(cyclopropylcar...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NC1CC1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H35FN2O5/c1-18(2)33-25(15-14-23(34)16-24(35)17-26(36)37)27(20-8-10-21(31)11-9-20)28(19-6-4-3-5-7-19)29(33)30(38)32-22-12-13-22/h3-11,18,22-24,34-35H,12-17H2,1-2H3,(H,32,38)(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/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18388
PNG
((3R,5S)-6-{[3-(benzylcarbamoyl)-1-(4-fluorophenyl)...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H30FN3O6/c1-16(2)23-24(25(35)28-14-17-6-4-3-5-7-17)29-30(19-10-8-18(27)9-11-19)26(23)36-15-21(32)12-20(31)13-22(33)34/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H,28,35)(H,33,34)/t20-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18426
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(3-fluorophenyl)...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H33F2N3O5/c1-17(2)26-24(12-11-22(34)14-23(35)15-25(36)37)33(21-9-7-19(29)8-10-21)31-27(26)28(38)32(3)16-18-5-4-6-20(30)13-18/h4-10,13,17,22-23,34-35H,11-12,14-16H2,1-3H3,(H,36,37)/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of Fluormone ES2 Green from human recombinant full length ERalpha expressed in insect cells measured up to 4 hrs by fluorescence polariz...


Bioorg Med Chem 24: 5495-5504 (2016)


Article DOI: 10.1016/j.bmc.2016.09.002
BindingDB Entry DOI: 10.7270/Q24B3388
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18420
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3R)-3-phenylpi...)
Show SMILES CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C30H36FN3O6/c1-19(2)27-28(29(39)33-14-6-9-21(17-33)20-7-4-3-5-8-20)32-34(23-12-10-22(31)11-13-23)30(27)40-18-25(36)15-24(35)16-26(37)38/h3-5,7-8,10-13,19,21,24-25,35-36H,6,9,14-18H2,1-2H3,(H,37,38)/t21-,24+,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18394
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-methylphenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(C)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-16(2)24-25(26(36)29-14-18-6-4-5-17(3)11-18)30-31(20-9-7-19(28)8-10-20)27(24)37-15-22(33)12-21(32)13-23(34)35/h4-11,16,21-22,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t21-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18389
PNG
((3R,5S)-6-({3-[benzyl(methyl)carbamoyl]-1-(4-fluor...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-17(2)24-25(26(36)30(3)15-18-7-5-4-6-8-18)29-31(20-11-9-19(28)10-12-20)27(24)37-16-22(33)13-21(32)14-23(34)35/h4-12,17,21-22,32-33H,13-16H2,1-3H3,(H,34,35)/t21-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18400
PNG
((3R,5S)-6-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29ClFN3O6/c1-15(2)23-24(25(36)29-13-16-4-3-5-17(27)10-16)30-31(19-8-6-18(28)7-9-19)26(23)37-14-21(33)11-20(32)12-22(34)35/h3-10,15,20-21,32-33H,11-14H2,1-2H3,(H,29,36)(H,34,35)/t20-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM18409
PNG
((3R,5S)-6-[(3-{[(3,4-difluorophenyl)methyl](methyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H30F3N3O6/c1-15(2)24-25(26(38)32(3)13-16-4-9-21(29)22(30)10-16)31-33(18-7-5-17(28)6-8-18)27(24)39-14-20(35)11-19(34)12-23(36)37/h4-10,15,19-20,34-35H,11-14H2,1-3H3,(H,36,37)/t19-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 506 total )  |  Next  |  Last  >>
Jump to: