new BindingDB logo
myBDB logout

BDBM50013416 CHEMBL3263754

SMILES: COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1

InChI Key: InChIKey=OQPWNIVCEUVXQA-LJQANCHMSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50013416   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50013416
PNG
(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
Article
PubMed
n/an/a 7.60n/an/an/an/an/an/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
Androgen Receptor


(Homo sapiens (Human))
BDBM50013416
PNG
(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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.05E+3n/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50013416
PNG
(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

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50013416
PNG
(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

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/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