BDBM50073109 CHEMBL3410851

SMILES: [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=YUQNMRLJWKHDHY-STQMWFEESA-N

Data: 2 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 2 hits for monomerid = 50073109   

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))	BDBM50073109 (CHEMBL3410851) Show SMILES [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3| Show InChI InChI=1S/C16H17F3N2O/c1-15(22)7-12-4-5-13(8-15)21(12)11-3-2-10(9-20)14(6-11)16(17,18)19/h2-3,6,12-13,22H,4-5,7-8H2,1H3/t12-,13-/m0/s1	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	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073109 (CHEMBL3410851) Show SMILES [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3| Show InChI InChI=1S/C16H17F3N2O/c1-15(22)7-12-4-5-13(8-15)21(12)11-3-2-10(9-20)14(6-11)16(17,18)19/h2-3,6,12-13,22H,4-5,7-8H2,1H3/t12-,13-/m0/s1	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...				J Med Chem 58: 1569-74 (2015) Article DOI: 10.1021/jm501995n BindingDB Entry DOI: 10.7270/Q24X59G2
					More data for this Ligand-Target Pair