Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.4 BDBM50320795

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))	BDBM50320795 (CHEMBL1164235 | N-(3-cyano-4-(3-(hydroxymethyl)phe...) Show SMILES OCc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C24H17N3O3S/c25-13-19-18(16-6-3-5-15(11-16)14-28)12-20(17-7-1-2-8-21(17)29)26-23(19)27-24(30)22-9-4-10-31-22/h1-12,28-29H,14H2,(H,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair