BindingDB logo
myBDB logout

PubMed code 20672820

Compile data set for download or QSAR
Found 92 hits of Enzyme Inhibition Constant Data   
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
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324157
PNG
(CHEMBL1215549 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC
Show InChI InChI=1S/C18H18ClFN2O2/c1-4-5-15-17(18(23)24-3)16(13(9-21)10(2)22-15)12-7-6-11(20)8-14(12)19/h6-8,13,16H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324158
PNG
(CHEMBL1215550 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H11ClF4N2O2/c1-7-10(6-22)12(9-4-3-8(18)5-11(9)17)13(15(24)25-2)14(23-7)16(19,20)21/h3-5,10,12H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324151
PNG
(CHEMBL1215480 | Methyl 2-Butyl-4-(2-chlorophenyl)-...)
Show SMILES CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C19H21ClN2O2/c1-4-5-10-16-18(19(23)24-3)17(14(11-21)12(2)22-16)13-8-6-7-9-15(13)20/h6-9,14,17H,4-5,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50318295
PNG
(CHEMBL1097751 | tert-Butyl (4R)-4-(2-Chloro-4-fluo...)
Show SMILES CC1=NC(C)=C([C@@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H20ClFN2O2/c1-10-14(9-22)17(13-7-6-12(21)8-15(13)20)16(11(2)23-10)18(24)25-19(3,4)5/h6-8,14,17H,1-5H3/t14?,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324149
PNG
(CHEMBL1215406 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C18H19ClN2O2/c1-4-7-15-17(18(22)23-3)16(13(10-20)11(2)21-15)12-8-5-6-9-14(12)19/h5-6,8-9,13,16H,4,7H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324139
PNG
(3-tert-butyl 5-methyl 4-(2-chloro-4-fluorophenyl)-...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(F)cc1Cl
Show InChI InChI=1S/C20H23ClFNO4/c1-10-15(18(24)26-6)17(13-8-7-12(22)9-14(13)21)16(11(2)23-10)19(25)27-20(3,4)5/h7-9,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324146
PNG
(CHEMBL1215403 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C16H14ClFN2O2/c1-8-12(7-19)15(11-5-4-10(18)6-13(11)17)14(9(2)20-8)16(21)22-3/h4-6,12,15H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324157
PNG
(CHEMBL1215549 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC
Show InChI InChI=1S/C18H18ClFN2O2/c1-4-5-15-17(18(23)24-3)16(13(9-21)10(2)22-15)12-7-6-11(20)8-14(12)19/h6-8,13,16H,4-5H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50318300
PNG
(CHEMBL1095097 | EPLERENONE | SC-66110)
Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
Show InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50318298
PNG
((+)-(R)-3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1[C@H](C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6/c1-11-15(18(23)27-6)17(13-8-7-9-14(10-13)22(25)26)16(12(2)21-11)19(24)28-20(3,4)5/h7-10,15,17H,1-6H3/t15?,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324149
PNG
(CHEMBL1215406 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C18H19ClN2O2/c1-4-7-15-17(18(22)23-3)16(13(10-20)11(2)21-15)12-8-5-6-9-14(12)19/h5-6,8-9,13,16H,4,7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324143
PNG
(CHEMBL1215327 | tert-Butyl 5-Cyano-4-(2,4-difluoro...)
Show SMILES CC1=NC(C)=C(C(C1C#N)c1ccc(F)cc1F)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H20F2N2O2/c1-10-14(9-22)17(13-7-6-12(20)8-15(13)21)16(11(2)23-10)18(24)25-19(3,4)5/h6-8,14,17H,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 201n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324124
PNG
(3-tert-butyl 5-methyl 2,6-dimethyl-4-o-tolyl-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1C
Show InChI InChI=1S/C21H27NO4/c1-12-10-8-9-11-15(12)18-16(19(23)25-7)13(2)22-14(3)17(18)20(24)26-21(4,5)6/h8-11,16,18H,1-7H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 208n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324150
PNG
(CHEMBL1215407 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES COC(=O)C1=C(N=C(C)C(C#N)C1c1ccccc1Cl)C(C)C
Show InChI InChI=1S/C18H19ClN2O2/c1-10(2)17-16(18(22)23-4)15(13(9-20)11(3)21-17)12-7-5-6-8-14(12)19/h5-8,10,13,15H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 208n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324123
PNG
(3-tert-butyl 5-methyl 2,6-dimethyl-4-(2-(trifluoro...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H24F3NO4/c1-11-15(18(26)28-6)17(13-9-7-8-10-14(13)21(22,23)24)16(12(2)25-11)19(27)29-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 224n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324148
PNG
(CHEMBL1215405 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES CCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C17H17ClN2O2/c1-4-14-16(17(21)22-3)15(12(9-19)10(2)20-14)11-7-5-6-8-13(11)18/h5-8,12,15H,4H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 232n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324159
PNG
(CHEMBL1215551 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(N(C)C(C)=C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H13ClF4N2O2/c1-8-11(7-23)13(10-5-4-9(19)6-12(10)18)14(16(25)26-3)15(24(8)2)17(20,21)22/h4-6,13H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 275n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324135
PNG
(3-tert-butyl 5-methyl 4-(4-fluorophenyl)-2,6-dimet...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(F)cc1
Show InChI InChI=1S/C20H24FNO4/c1-11-15(18(23)25-6)17(13-7-9-14(21)10-8-13)16(12(2)22-11)19(24)26-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324151
PNG
(CHEMBL1215480 | Methyl 2-Butyl-4-(2-chlorophenyl)-...)
Show SMILES CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C19H21ClN2O2/c1-4-5-10-16-18(19(23)24-3)17(14(11-21)12(2)22-16)13-8-6-7-9-15(13)20/h6-9,14,17H,4-5,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324146
PNG
(CHEMBL1215403 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C16H14ClFN2O2/c1-8-12(7-19)15(11-5-4-10(18)6-13(11)17)14(9(2)20-8)16(21)22-3/h4-6,12,15H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324149
PNG
(CHEMBL1215406 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C18H19ClN2O2/c1-4-7-15-17(18(22)23-3)16(13(10-20)11(2)21-15)12-8-5-6-9-14(12)19/h5-6,8-9,13,16H,4,7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324133
PNG
(3-tert-butyl 5-methyl 2,6-dimethyl-4-(4-(trifluoro...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3NO4/c1-11-15(18(26)28-6)17(13-7-9-14(10-8-13)21(22,23)24)16(12(2)25-11)19(27)29-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 309n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324138
PNG
(3-tert-butyl 5-methyl 4-(4-chlorophenyl)-2,6-dimet...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-11-15(18(23)25-6)17(13-7-9-14(21)10-8-13)16(12(2)22-11)19(24)26-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 319n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324141
PNG
(CHEMBL1215325 | tert-Butyl 5-Cyano-4-(4-fluorophen...)
Show SMILES CC1=NC(C)=C(C(C1C#N)c1ccc(F)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H21FN2O2/c1-11-15(10-21)17(13-6-8-14(20)9-7-13)16(12(2)22-11)18(23)24-19(3,4)5/h6-9,15,17H,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 329n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324129
PNG
(3-tert-butyl 5-methyl 4-(3-chlorophenyl)-2,6-dimet...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClNO4/c1-11-15(18(23)25-6)17(13-8-7-9-14(21)10-13)16(12(2)22-11)19(24)26-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 518n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324125
PNG
(3-tert-butyl 5-methyl 4-(2-methoxyphenyl)-2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1OC
Show InChI InChI=1S/C21H27NO5/c1-12-16(19(23)26-7)18(14-10-8-9-11-15(14)25-6)17(13(2)22-12)20(24)27-21(3,4)5/h8-11,16,18H,1-7H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 553n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324140
PNG
(3-tert-butyl 5-methyl 4-(4-chloro-3-fluorophenyl)-...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C20H23ClFNO4/c1-10-15(18(24)26-6)17(12-7-8-13(21)14(22)9-12)16(11(2)23-10)19(25)27-20(3,4)5/h7-9,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 574n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324147
PNG
(CHEMBL1215404 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN2O2/c1-9-12(8-18)15(11-6-4-5-7-13(11)17)14(10(2)19-9)16(20)21-3/h4-7,12,15H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 594n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324121
PNG
(3-tert-butyl 5-methyl 4-(2-chlorophenyl)-2,6-dimet...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1Cl
Show InChI InChI=1S/C20H24ClNO4/c1-11-15(18(23)25-6)17(13-9-7-8-10-14(13)21)16(12(2)22-11)19(24)26-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 621n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324152
PNG
(CHEMBL1215481 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES COCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C17H17ClN2O3/c1-10-12(8-19)15(11-6-4-5-7-13(11)18)16(17(21)23-3)14(20-10)9-22-2/h4-7,12,15H,9H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 655n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324142
PNG
(CHEMBL1215326 | tert-butyl 5-cyano-4-(4-fluorophen...)
Show SMILES CC1=NC(C)=C(C(=O)OC(C)(C)C)C(C)(C1C#N)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN2O2/c1-12-16(11-22)20(6,14-7-9-15(21)10-8-14)17(13(2)23-12)18(24)25-19(3,4)5/h7-10,16H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 661n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324157
PNG
(CHEMBL1215549 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC
Show InChI InChI=1S/C18H18ClFN2O2/c1-4-5-15-17(18(23)24-3)16(13(9-21)10(2)22-15)12-7-6-11(20)8-14(12)19/h6-8,13,16H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324130
PNG
(3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-(trifluoro...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24F3NO4/c1-11-15(18(26)28-6)17(13-8-7-9-14(10-13)21(22,23)24)16(12(2)25-11)19(27)29-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 702n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324158
PNG
(CHEMBL1215550 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H11ClF4N2O2/c1-7-10(6-22)12(9-4-3-8(18)5-11(9)17)13(15(24)25-2)14(23-7)16(19,20)21/h3-5,10,12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324155
PNG
(CHEMBL1215484 | Methyl 2-Benzyl-4-(2-chlorophenyl)...)
Show SMILES COC(=O)C1=C(Cc2ccccc2)N=C(C)C(C#N)C1c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN2O2/c1-14-17(13-24)20(16-10-6-7-11-18(16)23)21(22(26)27-2)19(25-14)12-15-8-4-3-5-9-15/h3-11,17,20H,12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 852n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324128
PNG
(3-tert-butyl 5-methyl 4-(3-methoxyphenyl)-2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(OC)c1
Show InChI InChI=1S/C21H27NO5/c1-12-16(19(23)26-7)18(14-9-8-10-15(11-14)25-6)17(13(2)22-12)20(24)27-21(3,4)5/h8-11,16,18H,1-7H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 888n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324151
PNG
(CHEMBL1215480 | Methyl 2-Butyl-4-(2-chlorophenyl)-...)
Show SMILES CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C19H21ClN2O2/c1-4-5-10-16-18(19(23)24-3)17(14(11-21)12(2)22-16)13-8-6-7-9-15(13)20/h6-9,14,17H,4-5,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324146
PNG
(CHEMBL1215403 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C16H14ClFN2O2/c1-8-12(7-19)15(11-5-4-10(18)6-13(11)17)14(9(2)20-8)16(21)22-3/h4-6,12,15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324153
PNG
(CHEMBL1215482 | Ethyl 4-(2-Chlorophenyl)-5-cyano-2...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C#N)C1c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c1-3-27-22(26)20-19(16-11-7-8-12-18(16)23)17(13-24)14(2)25-21(20)15-9-5-4-6-10-15/h4-12,17,19H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 923n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324154
PNG
(CHEMBL1215483 | Ethyl 4-(2-Chlorophenyl)-6-(4-chlo...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C#N)C1c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N2O2/c1-3-28-22(27)20-19(16-6-4-5-7-18(16)24)17(12-25)13(2)26-21(20)14-8-10-15(23)11-9-14/h4-11,17,19H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324132
PNG
(3-tert-butyl 5-methyl 4-(3-fluorophenyl)-2,6-dimet...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(F)c1
Show InChI InChI=1S/C20H24FNO4/c1-11-15(18(23)25-6)17(13-8-7-9-14(21)10-13)16(12(2)22-11)19(24)26-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324151
PNG
(CHEMBL1215480 | Methyl 2-Butyl-4-(2-chlorophenyl)-...)
Show SMILES CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C19H21ClN2O2/c1-4-5-10-16-18(19(23)24-3)17(14(11-21)12(2)22-16)13-8-6-7-9-15(13)20/h6-9,14,17H,4-5,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324149
PNG
(CHEMBL1215406 | Methyl 4-(2-Chlorophenyl)-5-cyano-...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C18H19ClN2O2/c1-4-7-15-17(18(22)23-3)16(13(10-20)11(2)21-15)12-8-5-6-9-14(12)19/h5-6,8-9,13,16H,4,7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324144
PNG
(CHEMBL1215328 | tert-Butyl 5-Cyano-4-(2,4-difluoro...)
Show SMILES CCN1C(C)=C(C#N)C(C(C(=O)OC(C)(C)C)=C1C)c1ccc(F)cc1F
Show InChI InChI=1S/C21H24F2N2O2/c1-7-25-12(2)16(11-24)19(15-9-8-14(22)10-17(15)23)18(13(25)3)20(26)27-21(4,5)6/h8-10,19H,7H2,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324122
PNG
(3-tert-butyl 5-methyl 4-(2-fluorophenyl)-2,6-dimet...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1F
Show InChI InChI=1S/C20H24FNO4/c1-11-15(18(23)25-6)17(13-9-7-8-10-14(13)21)16(12(2)22-11)19(24)26-20(3,4)5/h7-10,15,17H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324134
PNG
(3-tert-butyl 5-methyl 4-(4-hydroxyphenyl)-2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(O)cc1
Show InChI InChI=1S/C20H25NO5/c1-11-15(18(23)25-6)17(13-7-9-14(22)10-8-13)16(12(2)21-11)19(24)26-20(3,4)5/h7-10,15,17,22H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324137
PNG
(3-tert-butyl 5-methyl 4-(4-methoxyphenyl)-2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27NO5/c1-12-16(19(23)26-7)18(14-8-10-15(25-6)11-9-14)17(13(2)22-12)20(24)27-21(3,4)5/h8-11,16,18H,1-7H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.62E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324126
PNG
(3-tert-butyl 5-methyl 2,6-dimethyl-4-m-tolyl-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(C)c1
Show InChI InChI=1S/C21H27NO4/c1-12-9-8-10-15(11-12)18-16(19(23)25-7)13(2)22-14(3)17(18)20(24)26-21(4,5)6/h8-11,16,18H,1-7H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.79E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324131
PNG
(3-tert-butyl 5-methyl 4-(3-hydroxyphenyl)-2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO5/c1-11-15(18(23)25-6)17(13-8-7-9-14(22)10-13)16(12(2)21-11)19(24)26-20(3,4)5/h7-10,15,17,22H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.83E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324127
PNG
(3-tert-butyl 5-methyl 4-(3-cyanophenyl)-2,6-dimeth...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)C#N
Show InChI InChI=1S/C21H24N2O4/c1-12-16(19(24)26-6)18(15-9-7-8-14(10-15)11-22)17(13(2)23-12)20(25)27-21(3,4)5/h7-10,16,18H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324158
PNG
(CHEMBL1215550 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H11ClF4N2O2/c1-7-10(6-22)12(9-4-3-8(18)5-11(9)17)13(15(24)25-2)14(23-7)16(19,20)21/h3-5,10,12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324145
PNG
(CHEMBL1215402 | tert-Butyl 5-Cyano-4-(2,4-difluoro...)
Show SMILES COCCN1C(C)=C(C#N)C(C(C(=O)OC(C)(C)C)=C1C)c1ccc(F)cc1F
Show InChI InChI=1S/C22H26F2N2O3/c1-13-17(12-25)20(16-8-7-15(23)11-18(16)24)19(21(27)29-22(3,4)5)14(2)26(13)9-10-28-6/h7-8,11,20H,9-10H2,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.74E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50324146
PNG
(CHEMBL1215403 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C16H14ClFN2O2/c1-8-12(7-19)15(11-5-4-10(18)6-13(11)17)14(9(2)20-8)16(21)22-3/h4-6,12,15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324156
PNG
(CHEMBL1215548 | Methyl 5-Cyano-1,4-dihydro-6-methy...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C18H20N2O2/c1-4-8-15-17(18(21)22-3)16(13-9-6-5-7-10-13)14(11-19)12(2)20-15/h5-7,9-10,14,16H,4,8H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.43E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324158
PNG
(CHEMBL1215550 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H11ClF4N2O2/c1-7-10(6-22)12(9-4-3-8(18)5-11(9)17)13(15(24)25-2)14(23-7)16(19,20)21/h3-5,10,12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50324119
PNG
(CHEMBL1215621 | Methyl 2-((1H-1,2,4-Triazol-1-yl)m...)
Show SMILES COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,13,16H,7H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50324116
PNG
((R)-Methyl 2-((1H-Tetrazol-1-yl)methyl)-4-(2-chlor...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3/t12?,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50324117
PNG
(CHEMBL1215552 | Methyl 2-((1H-Imidazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(8-22)17(13-4-3-12(21)7-15(13)20)18(19(26)27-2)16(24-11)9-25-6-5-23-10-25/h3-7,10,14,17H,9H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50324118
PNG
(CHEMBL1215620 | Methyl 2-((1H-Pyrazol-1-yl)methyl)...)
Show SMILES COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C19H16ClFN4O2/c1-11-14(9-22)17(13-5-4-12(21)8-15(13)20)18(19(26)27-2)16(24-11)10-25-7-3-6-23-25/h3-8,14,17H,10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50324157
PNG
(CHEMBL1215549 | Methyl 4-(2-Chloro-4-fluorophenyl)...)
Show SMILES CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC
Show InChI InChI=1S/C18H18ClFN2O2/c1-4-5-15-17(18(23)24-3)16(13(9-21)10(2)22-15)12-7-6-11(20)8-14(12)19/h6-8,13,16H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50324115
PNG
(CHEMBL1215622 | Methyl 2-((1H-Tetrazol-1-yl)methyl...)
Show SMILES COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl
Show InChI InChI=1S/C17H14ClFN6O2/c1-9-12(6-20)15(11-4-3-10(19)5-13(11)18)16(17(26)27-2)14(22-9)7-25-8-21-23-24-25/h3-5,8,12,15H,7H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50324136
PNG
(3-tert-butyl 5-methyl 2,6-dimethyl-4-p-tolyl-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(C)cc1
Show InChI InChI=1S/C21H27NO4/c1-12-8-10-15(11-9-12)18-16(19(23)25-7)13(2)22-14(3)17(18)20(24)26-21(4,5)6/h8-11,16,18H,1-7H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay


J Med Chem 53: 5970-8 (2010)


Article DOI: 10.1021/jm100506y
BindingDB Entry DOI: 10.7270/Q2XW4KST
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%