Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50101181'   

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 (Rattus norvegicus)	BDBM50101181 (2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonyl...) Show SMILES CC(C)N(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H48N4O3S/c1-24(2)40(25(3)4)36(41)29-13-16-34-33(23-29)32(35(38-34)30-21-26(5)20-27(6)22-30)17-19-37-18-9-8-10-28-11-14-31(15-12-28)39-44(7,42)43/h11-16,20-25,37-39H,8-10,17-19H2,1-7H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for Cys188Ala Src SH2 domain mutant using BIAcore binding assay				Bioorg Med Chem Lett 11: 1723-6 (2001) BindingDB Entry DOI: 10.7270/Q2KH0MK4
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50101181 (2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonyl...) Show SMILES CC(C)N(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H48N4O3S/c1-24(2)40(25(3)4)36(41)29-13-16-34-33(23-29)32(35(38-34)30-21-26(5)20-27(6)22-30)17-19-37-18-9-8-10-28-11-14-31(15-12-28)39-44(7,42)43/h11-16,20-25,37-39H,8-10,17-19H2,1-7H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the absence of bovine serum albumin (BSA)				Bioorg Med Chem Lett 11: 1723-6 (2001) BindingDB Entry DOI: 10.7270/Q2KH0MK4
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50101181 (2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonyl...) Show SMILES CC(C)N(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H48N4O3S/c1-24(2)40(25(3)4)36(41)29-13-16-34-33(23-29)32(35(38-34)30-21-26(5)20-27(6)22-30)17-19-37-18-9-8-10-28-11-14-31(15-12-28)39-44(7,42)43/h11-16,20-25,37-39H,8-10,17-19H2,1-7H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition GnRH-stimulated luteinizing hormone (LH) release from rat pituitary cells				Bioorg Med Chem Lett 11: 1723-6 (2001) BindingDB Entry DOI: 10.7270/Q2KH0MK4
					More data for this Ligand-Target Pair