BDBM50356992 CHEMBL1916248

SMILES: Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C

InChI Key: InChIKey=RTYRPBCRONQBGK-MXVIHJGJSA-N

Data: 1 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 1 hit for monomerid = 50356992   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Androgen Receptor (Homo sapiens (Human))	BDBM50356992 (CHEMBL1916248) Show SMILES Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:13.14,wD:17.19,(22.86,-40.64,;23.98,-39.59,;25.49,-39.88,;26.24,-38.53,;27.73,-38.19,;28.18,-36.72,;27.13,-35.59,;25.63,-35.94,;25.19,-37.41,;23.79,-38.07,;22.44,-37.32,;21.12,-38.12,;22.41,-35.78,;21.06,-35.04,;19.52,-35.04,;19.11,-36.52,;18.02,-35.43,;19.52,-33.5,;18.19,-32.72,;18.2,-31.18,;16.87,-30.42,;16.87,-28.88,;18.21,-28.11,;18.21,-26.57,;18.22,-25.04,;19.54,-28.89,;20.87,-28.12,;19.53,-30.42,;21.06,-33.5,;21.45,-32,;22.54,-33.89,)| Show InChI InChI=1S/C23H24ClN5O2/c1-13-17(29-10-6-9-26-21(29)27-13)18(30)28-19-22(2,3)20(23(19,4)5)31-15-8-7-14(12-25)16(24)11-15/h6-11,19-20H,1-5H3,(H,28,30)/t19-,20-	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
					More data for this Ligand-Target Pair