BDBM50322319 CHEMBL1170692::rac-N-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-({3-[(1-methylethyl)amino]butanoyl}amino)phenyl]pyridin-2-yl}furan-2-carboxamide

SMILES: CC(C)NC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O

InChI Key: InChIKey=LBZXIMVHSCCDBC-UHFFFAOYSA-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 = 50322319   

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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50322319 (CHEMBL1170692 | rac-N-{3-Cyano-6-(4-fluoro-2-hydro...) Show SMILES CC(C)NC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C30H28FN5O4/c1-17(2)33-18(3)12-28(38)34-21-7-4-6-19(13-21)23-15-25(22-10-9-20(31)14-26(22)37)35-29(24(23)16-32)36-30(39)27-8-5-11-40-27/h4-11,13-15,17-18,33,37H,12H2,1-3H3,(H,34,38)(H,35,36,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
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