Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 511.5 BDBM50322305

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))	BDBM50322305 (CHEMBL1173438 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1 Show InChI InChI=1S/C29H26FN5O3/c1-34-9-11-35(12-10-34)18-19-4-2-5-20(14-19)23-16-25(22-8-7-21(30)15-26(22)36)32-28(24(23)17-31)33-29(37)27-6-3-13-38-27/h2-8,13-16,36H,9-12,18H2,1H3,(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	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
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