Found 105 hits with Last Name = 'raheja' and Initial = 'nk' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013412
(CHEMBL3263752)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H24N4O3/c1-14-11-17(8-7-16(14)13-24)27-21(15-5-3-4-6-15)12-20(26-27)19-10-9-18(23(28)29)22(25-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H,28,29)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013430
(CHEMBL3263768)Show SMILES COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:18| Show InChI InChI=1S/C24H25N9O2/c1-14-11-17(8-7-16(14)13-25)33-21(15-5-3-4-6-15)12-20(30-33)19-10-9-18(23(26-19)35-2)22(34)27-24-28-31-32-29-24/h7-11,15,21H,3-6,12H2,1-2H3,(H2,27,28,29,31,32,34)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013422
(CHEMBL3263760)Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H25N5O2/c1-14-11-17(8-7-16(14)13-24)28-21(15-5-3-4-6-15)12-20(27-28)19-10-9-18(22(25)29)23(26-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H2,25,29)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013428
(CHEMBL3263766)Show SMILES COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:16| Show InChI InChI=1S/C24H27N5O4S/c1-15-12-18(9-8-17(15)14-25)29-22(16-6-4-5-7-16)13-21(27-29)20-11-10-19(24(26-20)33-2)23(30)28-34(3,31)32/h8-12,16,22H,4-7,13H2,1-3H3,(H,28,30)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013426
(CHEMBL3263764)Show SMILES CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:13| Show InChI InChI=1S/C23H26N6O2/c1-14-16(13-24)8-11-21(26-14)29-20(15-6-4-5-7-15)12-19(28-29)18-10-9-17(22(30)25-2)23(27-18)31-3/h8-11,15,20H,4-7,12H2,1-3H3,(H,25,30)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013424
(CHEMBL3263762)Show SMILES COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:14| Show InChI InChI=1S/C25H29N5O2/c1-16-13-19(10-9-18(16)15-26)30-23(17-7-5-6-8-17)14-22(28-30)21-12-11-20(24(27-21)32-4)25(31)29(2)3/h9-13,17,23H,5-8,14H2,1-4H3/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013429
(CHEMBL3263767)Show SMILES COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:16| Show InChI InChI=1S/C23H26N6O4S/c1-14-16(13-24)8-11-21(25-14)29-20(15-6-4-5-7-15)12-19(27-29)18-10-9-17(23(26-18)33-2)22(30)28-34(3,31)32/h8-11,15,20H,4-7,12H2,1-3H3,(H,28,30)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013425
(CHEMBL3263763)Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C22H24N6O2/c1-13-15(12-23)7-10-20(25-13)28-19(14-5-3-4-6-14)11-18(27-28)17-9-8-16(21(24)29)22(26-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H2,24,29)/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013419
(CHEMBL3263757)Show SMILES CCOc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13| Show InChI InChI=1S/C24H26N4O3/c1-3-31-23-19(24(29)30)10-11-20(26-23)21-13-22(16-6-4-5-7-16)28(27-21)18-9-8-17(14-25)15(2)12-18/h8-12,16,22H,3-7,13H2,1-2H3,(H,29,30)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013412
(CHEMBL3263752)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H24N4O3/c1-14-11-17(8-7-16(14)13-24)27-21(15-5-3-4-6-15)12-20(26-27)19-10-9-18(23(28)29)22(25-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H,28,29)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013416
(CHEMBL3263754)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C22H23N5O3/c1-13-15(12-23)7-10-20(24-13)27-19(14-5-3-4-6-14)11-18(26-27)17-9-8-16(22(28)29)21(25-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H,28,29)/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013413
(CHEMBL3263750)Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C24H25N3O3/c1-15-11-19(9-7-18(15)14-25)27-22(16-5-3-4-6-16)13-21(26-27)17-8-10-20(24(28)29)23(12-17)30-2/h7-12,16,22H,3-6,13H2,1-2H3,(H,28,29)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50324210
((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...)Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50324210
((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...)Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013427
(CHEMBL3263765)Show SMILES COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:14| Show InChI InChI=1S/C24H28N6O2/c1-15-17(14-25)9-12-22(26-15)30-21(16-7-5-6-8-16)13-20(28-30)19-11-10-18(23(27-19)32-4)24(31)29(2)3/h9-12,16,21H,5-8,13H2,1-4H3/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013414
(CHEMBL3263751)Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13| Show InChI InChI=1S/C25H27N3O3/c1-3-31-24-13-18(9-11-21(24)25(29)30)22-14-23(17-6-4-5-7-17)28(27-22)20-10-8-19(15-26)16(2)12-20/h8-13,17,23H,3-7,14H2,1-2H3,(H,29,30)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50324199
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12| Show InChI InChI=1S/C23H22ClN3O3/c1-30-22-10-15(7-9-18(22)23(28)29)20-12-21(14-4-2-3-5-14)27(26-20)17-8-6-16(13-25)19(24)11-17/h6-11,14,21H,2-5,12H2,1H3,(H,28,29)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013423
(CHEMBL3263761)Show SMILES CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13| Show InChI InChI=1S/C24H27N5O2/c1-15-12-18(9-8-17(15)14-25)29-22(16-6-4-5-7-16)13-21(28-29)20-11-10-19(23(30)26-2)24(27-20)31-3/h8-12,16,22H,4-7,13H2,1-3H3,(H,26,30)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013417
(CHEMBL3263755)Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C23H24N4O3/c1-14-17(13-24)8-10-22(25-14)27-20(15-5-3-4-6-15)12-19(26-27)16-7-9-18(23(28)29)21(11-16)30-2/h7-11,15,20H,3-6,12H2,1-2H3,(H,28,29)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013418
(CHEMBL3263756)Show SMILES Cc1nc(ccc1C#N)N1N=C(C[C@@H]1C1CCCC1)c1ccc(cc1)C(O)=O |r,c:11| Show InChI InChI=1S/C22H22N4O2/c1-14-18(13-23)10-11-21(24-14)26-20(16-4-2-3-5-16)12-19(25-26)15-6-8-17(9-7-15)22(27)28/h6-11,16,20H,2-5,12H2,1H3,(H,27,28)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50324201
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13| Show InChI InChI=1S/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013421
(CHEMBL3263759)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C(C)C)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C20H21N5O3/c1-11(2)17-9-16(15-7-6-14(20(26)27)19(23-15)28-4)24-25(17)18-8-5-13(10-21)12(3)22-18/h5-8,11,17H,9H2,1-4H3,(H,26,27)/t17-/m1/s1 | PDB
MMDB
KEGG
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antibodypedia
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50013420
(CHEMBL3263758)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12| Show InChI InChI=1S/C22H21ClN4O3/c1-30-21-16(22(28)29)8-9-18(25-21)19-11-20(13-4-2-3-5-13)27(26-19)15-7-6-14(12-24)17(23)10-15/h6-10,13,20H,2-5,11H2,1H3,(H,28,29)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50318300
(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 |r,t:6| 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
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CHEMBL
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MCE
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PDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
P-selectin
(Homo sapiens (Human)) | BDBM50100510
(3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-hexad...)Show SMILES CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)-c1cc(on1)C(O)=O |w:19.18,37.39| Show InChI InChI=1S/C47H54N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32-48-42(52)30-20-34-16-22-37(23-17-34)44-45(38-24-18-35(19-25-38)21-31-43(53)54)50-46(49-44)39-28-26-36(27-29-39)40-33-41(47(55)56)57-51-40/h16-31,33H,2-15,32H2,1H3,(H,48,52)(H,49,50)(H,53,54)(H,55,56) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontogen Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against P-selectin using ELISA-based assay |
J Med Chem 44: 2094-107 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5PHF |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50100507
(3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-hexad...)Show SMILES CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)C1=NOC(C1)C(O)=O |w:19.18,37.39,t:53| Show InChI InChI=1S/C47H56N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32-48-42(52)30-20-34-16-22-37(23-17-34)44-45(38-24-18-35(19-25-38)21-31-43(53)54)50-46(49-44)39-28-26-36(27-29-39)40-33-41(47(55)56)57-51-40/h16-31,41H,2-15,32-33H2,1H3,(H,48,52)(H,49,50)(H,53,54)(H,55,56) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontogen Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against P-selectin using ELISA-based assay |
J Med Chem 44: 2094-107 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5PHF |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50324210
((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...)Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1 | PDB
KEGG
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013422
(CHEMBL3263760)Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H25N5O2/c1-14-11-17(8-7-16(14)13-24)28-21(15-5-3-4-6-15)12-20(27-28)19-10-9-18(22(25)29)23(26-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H2,25,29)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 494 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013426
(CHEMBL3263764)Show SMILES CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:13| Show InChI InChI=1S/C23H26N6O2/c1-14-16(13-24)8-11-21(26-14)29-20(15-6-4-5-7-15)12-19(28-29)18-10-9-17(22(30)25-2)23(27-18)31-3/h8-11,15,20H,4-7,12H2,1-3H3,(H,25,30)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013425
(CHEMBL3263763)Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C22H24N6O2/c1-13-15(12-23)7-10-20(25-13)28-19(14-5-3-4-6-14)11-18(27-28)17-9-8-16(21(24)29)22(26-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H2,24,29)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 597 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013430
(CHEMBL3263768)Show SMILES COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:18| Show InChI InChI=1S/C24H25N9O2/c1-14-11-17(8-7-16(14)13-25)33-21(15-5-3-4-6-15)12-20(30-33)19-10-9-18(23(26-19)35-2)22(34)27-24-28-31-32-29-24/h7-11,15,21H,3-6,12H2,1-2H3,(H2,27,28,29,31,32,34)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 684 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013420
(CHEMBL3263758)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12| Show InChI InChI=1S/C22H21ClN4O3/c1-30-21-16(22(28)29)8-9-18(25-21)19-11-20(13-4-2-3-5-13)27(26-19)15-7-6-14(12-24)17(23)10-15/h6-10,13,20H,2-5,11H2,1H3,(H,28,29)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 806 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013429
(CHEMBL3263767)Show SMILES COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:16| Show InChI InChI=1S/C23H26N6O4S/c1-14-16(13-24)8-11-21(25-14)29-20(15-6-4-5-7-15)12-19(27-29)18-10-9-17(23(26-18)33-2)22(30)28-34(3,31)32/h8-11,15,20H,4-7,12H2,1-3H3,(H,28,30)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 831 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50288934
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontogen Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against P-selectin using ELISA-based assay |
J Med Chem 44: 2094-107 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5PHF |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50324199
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12| Show InChI InChI=1S/C23H22ClN3O3/c1-30-22-10-15(7-9-18(22)23(28)29)20-12-21(14-4-2-3-5-14)27(26-20)17-8-6-16(13-25)19(24)11-17/h6-11,14,21H,2-5,12H2,1H3,(H,28,29)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013424
(CHEMBL3263762)Show SMILES COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:14| Show InChI InChI=1S/C25H29N5O2/c1-16-13-19(10-9-18(16)15-26)30-23(17-7-5-6-8-17)14-22(28-30)21-12-11-20(24(27-21)32-4)25(31)29(2)3/h9-13,17,23H,5-8,14H2,1-4H3/t23-/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013427
(CHEMBL3263765)Show SMILES COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:14| Show InChI InChI=1S/C24H28N6O2/c1-15-17(14-25)9-12-22(26-15)30-21(16-7-5-6-8-16)13-20(28-30)19-11-10-18(23(27-19)32-4)24(31)29(2)3/h9-12,16,21H,5-8,13H2,1-4H3/t21-/m1/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013416
(CHEMBL3263754)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C22H23N5O3/c1-13-15(12-23)7-10-20(24-13)27-19(14-5-3-4-6-14)11-18(26-27)17-9-8-16(22(28)29)21(25-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H,28,29)/t19-/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50324201
(4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...)Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13| Show InChI InChI=1S/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013421
(CHEMBL3263759)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C(C)C)c1ccc(C#N)c(C)n1 |r,t:12| Show InChI InChI=1S/C20H21N5O3/c1-11(2)17-9-16(15-7-6-14(20(26)27)19(23-15)28-4)24-25(17)18-8-5-13(10-21)12(3)22-18/h5-8,11,17H,9H2,1-4H3,(H,26,27)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013414
(CHEMBL3263751)Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13| Show InChI InChI=1S/C25H27N3O3/c1-3-31-24-13-18(9-11-21(24)25(29)30)22-14-23(17-6-4-5-7-17)28(27-22)20-10-8-19(15-26)16(2)12-20/h8-13,17,23H,3-7,14H2,1-2H3,(H,29,30)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013428
(CHEMBL3263766)Show SMILES COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:16| Show InChI InChI=1S/C24H27N5O4S/c1-15-12-18(9-8-17(15)14-25)29-22(16-6-4-5-7-16)13-21(27-29)20-11-10-19(24(26-20)33-2)23(30)28-34(3,31)32/h8-12,16,22H,4-7,13H2,1-3H3,(H,28,30)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013412
(CHEMBL3263752)Show SMILES COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H24N4O3/c1-14-11-17(8-7-16(14)13-24)27-21(15-5-3-4-6-15)12-20(26-27)19-10-9-18(23(28)29)22(25-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H,28,29)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013419
(CHEMBL3263757)Show SMILES CCOc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13| Show InChI InChI=1S/C24H26N4O3/c1-3-31-23-19(24(29)30)10-11-20(26-23)21-13-22(16-6-4-5-7-16)28(27-21)18-9-8-17(14-25)15(2)12-18/h8-12,16,22H,3-7,13H2,1-2H3,(H,29,30)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50100510
(3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-hexad...)Show SMILES CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)-c1cc(on1)C(O)=O |w:19.18,37.39| Show InChI InChI=1S/C47H54N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32-48-42(52)30-20-34-16-22-37(23-17-34)44-45(38-24-18-35(19-25-38)21-31-43(53)54)50-46(49-44)39-28-26-36(27-29-39)40-33-41(47(55)56)57-51-40/h16-31,33H,2-15,32H2,1H3,(H,48,52)(H,49,50)(H,53,54)(H,55,56) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontogen Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against P-selectin using cell-selectin protein assay |
J Med Chem 44: 2094-107 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5PHF |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013413
(CHEMBL3263750)Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C24H25N3O3/c1-15-11-19(9-7-18(15)14-25)27-22(16-5-3-4-6-16)13-21(26-27)17-8-10-20(24(28)29)23(12-17)30-2/h7-12,16,22H,3-6,13H2,1-2H3,(H,28,29)/t22-/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50013422
(CHEMBL3263760)Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H25N5O2/c1-14-11-17(8-7-16(14)13-24)28-21(15-5-3-4-6-15)12-20(27-28)19-10-9-18(22(25)29)23(26-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H2,25,29)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50100508
(3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-dodec...)Show SMILES CCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)-c1cc(on1)C(O)=O |w:15.14,33.35| Show InChI InChI=1S/C43H46N4O6/c1-2-3-4-5-6-7-8-9-10-11-28-44-38(48)26-16-30-12-18-33(19-13-30)40-41(34-20-14-31(15-21-34)17-27-39(49)50)46-42(45-40)35-24-22-32(23-25-35)36-29-37(43(51)52)53-47-36/h12-27,29H,2-11,28H2,1H3,(H,44,48)(H,45,46)(H,49,50)(H,51,52) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontogen Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against P-selectin using ELISA-based assay |
J Med Chem 44: 2094-107 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5PHF |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50013422
(CHEMBL3263760)Show SMILES COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12| Show InChI InChI=1S/C23H25N5O2/c1-14-11-17(8-7-16(14)13-24)28-21(15-5-3-4-6-15)12-20(27-28)19-10-9-18(22(25)29)23(26-19)30-2/h7-11,15,21H,3-6,12H2,1-2H3,(H2,25,29)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50013423
(CHEMBL3263761)Show SMILES CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13| Show InChI InChI=1S/C24H27N5O2/c1-15-12-18(9-8-17(15)14-25)29-22(16-6-4-5-7-16)13-21(28-29)20-11-10-19(23(30)26-2)24(27-20)31-3/h8-12,16,22H,4-7,13H2,1-3H3,(H,26,30)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay |
J Med Chem 57: 4273-88 (2014)
Article DOI: 10.1021/jm500206r
BindingDB Entry DOI: 10.7270/Q2D50PGM |
More data for this
Ligand-Target Pair | |
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