Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50104560'   

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))	BDBM50104560 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC(C)(C)CC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H52N4O/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-17-9-8-10-30-13-18-40-19-14-30)33-25-32(11-12-34(33)42-36)39(6,7)37(44)43-20-15-38(4,5)16-21-43/h11-14,18-19,22-25,29,41-42H,8-10,15-17,20-21,26H2,1-7H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104560 (2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC(C)(C)CC1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H52N4O/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-17-9-8-10-30-13-18-40-19-14-30)33-25-32(11-12-34(33)42-36)39(6,7)37(44)43-20-15-38(4,5)16-21-43/h11-14,18-19,22-25,29,41-42H,8-10,15-17,20-21,26H2,1-7H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair