Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50347986'   

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))	BDBM50347986 (CHEMBL1800155) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347986 (CHEMBL1800155) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347986 (CHEMBL1800155) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347986 (CHEMBL1800155) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)cc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C33H33F2N5O6S/c1-38(16-17-44-2)18-25-28-30(41)40(22-12-14-23(45-3)15-13-22)33(43)39(19-24-26(34)6-5-7-27(24)35)31(28)47-29(25)20-8-10-21(11-9-20)36-32(42)37-46-4/h5-15H,16-19H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair