Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50109211'   

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))	BDBM50109211 (8-Cyano-1-(2-fluoro-benzyl)-7-(4-isobutoxy-phenyl)...) Show SMILES CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OCC(C)C)cc1 Show InChI InChI=1S/C37H38FN5O4/c1-5-46-37(45)31-22-42(21-27-10-6-7-12-32(27)38)35-30(20-39)34(26-13-15-29(16-14-26)47-24-25(2)3)33(43(35)36(31)44)23-41(4)19-17-28-11-8-9-18-40-28/h6-16,18,22,25H,5,17,19,21,23-24H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3491-5 (2002) BindingDB Entry DOI: 10.7270/Q2M90812
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50109211 (8-Cyano-1-(2-fluoro-benzyl)-7-(4-isobutoxy-phenyl)...) Show SMILES CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OCC(C)C)cc1 Show InChI InChI=1S/C37H38FN5O4/c1-5-46-37(45)31-22-42(21-27-10-6-7-12-32(27)38)35-30(20-39)34(26-13-15-29(16-14-26)47-24-25(2)3)33(43(35)36(31)44)23-41(4)19-17-28-11-8-9-18-40-28/h6-16,18,22,25H,5,17,19,21,23-24H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity against human GnRH receptor expressed in HEK293 cells using des-Gly10[125I]Tyr5, D-Leu, NMeLeu, Pro-NEt GnRH as radioligand.				Bioorg Med Chem Lett 12: 399-402 (2002) BindingDB Entry DOI: 10.7270/Q28W3CMT
					More data for this Ligand-Target Pair