Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50090542'   

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
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50090542 (7-Chloro-3-(4-iodo-3-methyl-phenyl)-2-oxo-4-((S)-2...) Show SMILES Cc1cc(ccc1I)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O Show InChI InChI=1S/C28H27ClIN5O3/c1-16-12-17(5-6-22(16)30)25-26(38-11-8-18-4-2-3-9-32-18)20-13-19(21(29)14-23(20)34-28(25)37)27(36)35-24-7-10-31-15-33-24/h5-7,10,12-15,18,32H,2-4,8-9,11H2,1H3,(H,34,37)(H,31,33,35,36)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2
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