BDBM50322317 CHEMBL1170684::N-[3-Cyano-4-{3-[(N,N-diethyl-beta-alanyl)amino]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide

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

InChI Key: InChIKey=JDTXXJRWRQWNSQ-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 = 50322317   

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))	BDBM50322317 (CHEMBL1170684 | N-[3-Cyano-4-{3-[(N,N-diethyl-beta...) Show SMILES CCN(CC)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C30H28FN5O4/c1-3-36(4-2)13-12-28(38)33-21-8-5-7-19(15-21)23-17-25(22-11-10-20(31)16-26(22)37)34-29(24(23)18-32)35-30(39)27-9-6-14-40-27/h5-11,14-17,37H,3-4,12-13H2,1-2H3,(H,33,38)(H,34,35,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	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
					More data for this Ligand-Target Pair