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BDBM50428546 CHEMBL2337518

SMILES: CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N

InChI Key: InChIKey=WLYBSAPGUZCDGP-DJJJIMSYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50428546   
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50428546
PNG
(CHEMBL2337518)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50428546
PNG
(CHEMBL2337518)
Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C19H20N4O2/c1-13-19(25,15-5-8-17(22-12-15)18(24)21-2)9-10-23(13)16-6-3-14(11-20)4-7-16/h3-8,12-13,25H,9-10H2,1-2H3,(H,21,24)/t13-,19-/m0/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 7.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells


Bioorg Med Chem 21: 70-83 (2012)


Article DOI: 10.1016/j.bmc.2012.11.001
BindingDB Entry DOI: 10.7270/Q2QC04VS
More data for this
Ligand-Target Pair