BDBM50516763 CHEMBL3185021

SMILES: CC(O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=JNGVJMBLXIUVRD-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50516763   

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 (Rattus norvegicus (Rat))	BDBM50516763 (CHEMBL3185021) Show SMILES CC(O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Antagonist activity at GAL4-DBD fused rat androgen receptor expressed in UAS-bla 293 cells assessed as reduction in R1881-induced activation incubate...				Eur J Med Chem 180: 1-14 (2019) Article DOI: 10.1016/j.ejmech.2019.07.001
					More data for this Ligand-Target Pair				3D Structure (crystal)