Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50104559'   

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))	BDBM50104559 (4-(2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C41H55N5O3/c1-28-23-29(2)25-32(24-28)37-36(30(3)27-43-16-10-9-11-31-14-17-42-18-15-31)34-26-33(12-13-35(34)44-37)41(7,8)38(47)45-19-21-46(22-20-45)39(48)49-40(4,5)6/h12-15,17-18,23-26,30,43-44H,9-11,16,19-22,27H2,1-8H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				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))	BDBM50104559 (4-(2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4...) Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C41H55N5O3/c1-28-23-29(2)25-32(24-28)37-36(30(3)27-43-16-10-9-11-31-14-17-42-18-15-31)34-26-33(12-13-35(34)44-37)41(7,8)38(47)45-19-21-46(22-20-45)39(48)49-40(4,5)6/h12-15,17-18,23-26,30,43-44H,9-11,16,19-22,27H2,1-8H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	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