Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50165544'   

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))	BDBM50165544 (1-[1-Benzyl-2-(2-methoxy-5-nitro-benzylsulfanyl)-1...) Show SMILES COc1ccc(cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C27H29N5O4S/c1-27(2,3)30-25(33)28-20-10-12-23-22(15-20)29-26(31(23)16-18-8-6-5-7-9-18)37-17-19-14-21(32(34)35)11-13-24(19)36-4/h5-15H,16-17H2,1-4H3,(H2,28,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibitory concentration against human leutinizing releasing hormone receptor				Bioorg Med Chem Lett 15: 2265-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.030 BindingDB Entry DOI: 10.7270/Q2GB23K1
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50165544 (1-[1-Benzyl-2-(2-methoxy-5-nitro-benzylsulfanyl)-1...) Show SMILES COc1ccc(cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C27H29N5O4S/c1-27(2,3)30-25(33)28-20-10-12-23-22(15-20)29-26(31(23)16-18-8-6-5-7-9-18)37-17-19-14-21(32(34)35)11-13-24(19)36-4/h5-15H,16-17H2,1-4H3,(H2,28,30,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibitory concentration against rat leutinizing releasing hormone receptor				Bioorg Med Chem Lett 15: 2265-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.030 BindingDB Entry DOI: 10.7270/Q2GB23K1
					More data for this Ligand-Target Pair