BDBM50356993 CHEMBL1916249

SMILES: COCCn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C

InChI Key: InChIKey=XYFZEIFUYSVWKD-MXVIHJGJSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356993   

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))	BDBM50356993 (CHEMBL1916249) Show SMILES COCCn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:12.12,wD:16.17,(43.88,-41.99,;43.1,-40.67,;41.56,-40.68,;40.78,-39.36,;39.24,-39.37,;38.34,-40.63,;36.87,-40.17,;36.86,-38.63,;38.32,-38.14,;35.51,-37.89,;34.19,-38.69,;35.48,-36.35,;34.13,-35.61,;32.59,-35.61,;32.18,-37.08,;31.09,-36,;32.59,-34.06,;31.26,-33.29,;31.26,-31.75,;29.93,-30.99,;29.93,-29.45,;31.27,-28.68,;31.28,-27.14,;31.28,-25.61,;32.6,-29.45,;33.94,-28.69,;32.6,-30.99,;34.13,-34.07,;34.52,-32.57,;35.61,-34.46,)| Show InChI InChI=1S/C22H27ClN4O3/c1-21(2)19(25-18(28)17-8-9-27(26-17)10-11-29-5)22(3,4)20(21)30-15-7-6-14(13-24)16(23)12-15/h6-9,12,19-20H,10-11H2,1-5H3,(H,25,28)/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	136	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