BDBM50322301 CHEMBL1172940::N-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]pyridin-2-yl}furan-2-carboxamide

SMILES: CN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O

InChI Key: InChIKey=HKKZYFOWBDIXIQ-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 = 50322301   

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))	BDBM50322301 (CHEMBL1172940 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C28H24FN5O3/c1-33-9-11-34(12-10-33)20-5-2-4-18(14-20)22-16-24(21-8-7-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-6-3-13-37-26/h2-8,13-16,35H,9-12H2,1H3,(H,31,32,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	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