BDBM50322307 CHEMBL1169901::N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-{3-[(N-methylbeta-alanyl)amino]phenyl}pyridin-2-yl]furan-2-carboxamide

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

InChI Key: InChIKey=ZDHYMLQLFLRUGV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50322307   

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
KiSS-1 receptor (Rattus norvegicus)	BDBM50322307 (CHEMBL1169901 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CNCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C27H22FN5O4/c1-30-10-9-25(35)31-18-5-2-4-16(12-18)20-14-22(19-8-7-17(28)13-23(19)34)32-26(21(20)15-29)33-27(36)24-6-3-11-37-24/h2-8,11-14,30,34H,9-10H2,1H3,(H,31,35)(H,32,33,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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 rat 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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50322307 (CHEMBL1169901 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CNCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C27H22FN5O4/c1-30-10-9-25(35)31-18-5-2-4-16(12-18)20-14-22(19-8-7-17(28)13-23(19)34)32-26(21(20)15-29)33-27(36)24-6-3-11-37-24/h2-8,11-14,30,34H,9-10H2,1H3,(H,31,35)(H,32,33,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	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