BDBM50322310 CHEMBL1170904::N-[3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-(3-{[(2R)-pyrrolidin-2-ylacetyl]amino}phenyl)pyridin-2-yl]furan-2-carboxamide

SMILES: Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1

InChI Key: InChIKey=RSYNYLIYCFUNTG-LJQANCHMSA-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 = 50322310   

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)	BDBM50322310 (CHEMBL1170904 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r| Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	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))	BDBM50322310 (CHEMBL1170904 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r| Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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