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BDBM50013424 CHEMBL3263762

SMILES: COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1

InChI Key: InChIKey=SQHLJUMBLUSUDF-HSZRJFAPSA-N

Data: 3 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 3 hits for monomerid = 50013424   
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))
BDBM50013424
PNG
(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
Article
PubMed
n/an/a 3.70n/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))
BDBM50013424
PNG
(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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50013424
PNG
(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

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.49E+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