Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50060799'   

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)	BDBM50060799 (CHEMBL2370589 | [D/LAgl (Me)10]acyline) Show SMILES CN[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C80H103ClN16O14/c1-46(2)37-62(72(103)89-61(18-11-12-35-85-47(3)4)80(111)97-36-14-19-69(97)79(110)96-71(83-8)70(82)102)90-74(105)65(40-52-23-30-59(31-24-52)86-48(5)99)92-76(107)66(41-53-25-32-60(33-26-53)87-49(6)100)94-78(109)68(45-98)95-77(108)67(43-55-15-13-34-84-44-55)93-75(106)64(39-51-21-28-58(81)29-22-51)91-73(104)63(88-50(7)101)42-54-20-27-56-16-9-10-17-57(56)38-54/h9-10,13,15-17,20-34,38,44,46-47,61-69,71,83,85,98H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,102)(H,86,99)(H,87,100)(H,88,101)(H,89,103)(H,90,105)(H,91,104)(H,92,107)(H,93,106)(H,94,109)(H,95,108)(H,96,110)/t61-,62-,63+,64+,65+,66-,67+,68-,69+,71-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Inhibition of binding of radiolabeled histrelin to Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary gland membranes				J Med Chem 40: 3739-48 (1997) Article DOI: 10.1021/jm970024p BindingDB Entry DOI: 10.7270/Q24J0D8X
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