Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5 BDBM50322303

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322303 (CHEMBL1170870 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(CN3CCNCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C28H24FN5O3/c29-20-6-7-21(25(35)14-20)24-15-22(19-4-1-3-18(13-19)17-34-10-8-31-9-11-34)23(16-30)27(32-24)33-28(36)26-5-2-12-37-26/h1-7,12-15,31,35H,8-11,17H2,(H,32,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
					More data for this Ligand-Target Pair