Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50376884'   

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))	BDBM50376884 (CHEMBL429690) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)ccc(=O)n2c1CN(CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC#Cc1ccccc1C#CCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN(Cc1c(nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12)-c1ccc(NC(=O)NCC)cc1)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C93H92F4N18O12/c1-4-98-90(125)104-66-39-35-64(36-40-66)84-77(114-81(118)43-48-110(92(114)106-84)53-68-71(94)29-15-30-72(68)95)56-108(51-60-21-9-7-10-22-60)58-79(116)102-49-82(119)112-46-19-33-75(112)86(121)100-44-17-27-62-25-13-14-26-63(62)28-18-45-101-87(122)76-34-20-47-113(76)83(120)50-103-80(117)59-109(52-61-23-11-8-12-24-61)57-78-85(65-37-41-67(42-38-65)105-91(126)99-5-2)107-93-111(54-69-73(96)31-16-32-74(69)97)55-70(88(123)115(78)93)89(124)127-6-3/h7-16,21-26,29-32,35-43,48,55,75-76H,4-6,19-20,33-34,44-47,49-54,56-59H2,1-3H3,(H,100,121)(H,101,122)(H,102,116)(H,103,117)(H2,98,104,125)(H2,99,105,126)/t75-,76-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells				Bioorg Med Chem 16: 3744-58 (2008) Article DOI: 10.1016/j.bmc.2008.01.054 BindingDB Entry DOI: 10.7270/Q2NC623R
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