BDBM50094961 CHEMBL3588968

SMILES: CNC(=O)c1ccc(cc1F)N1CCC(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=NKIWLLJKGUXJDD-UHFFFAOYSA-N

Data: 1 KI

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 = 50094961   

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))	BDBM50094961 (CHEMBL3588968) Show SMILES CNC(=O)c1ccc(cc1F)N1CCC(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H27N3O/c26-22-19-15-24(14-16-8-2-1-3-9-16)20-13-7-6-12-18(20)21(19)23-25(22)17-10-4-5-11-17/h6-7,12-13,15-17H,1-5,8-11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	576	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alla Chem LLC Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor (unknown origin)				Eur J Med Chem 99: 51-66 (2015) Article DOI: 10.1016/j.ejmech.2015.05.039 BindingDB Entry DOI: 10.7270/Q2NP265W
					More data for this Ligand-Target Pair