Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50085760'   

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)	BDBM50085760 (CHEMBL262637 | cyclo(1-3)Ac-D-Asp-D-Cpa-D-Lys-Ser-...) Show SMILES CC(C)C[C@@H](NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CC(=O)N1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O Show InChI InChI=1S/C66H88ClN15O14/c1-36(2)29-48(59(90)76-47(14-9-27-72-66(69)70)65(96)82-28-10-15-54(82)64(95)73-37(3)56(68)87)77-61(92)51(33-41-16-21-42-11-5-6-12-43(42)30-41)79-60(91)50(32-40-19-24-45(85)25-20-40)80-63(94)53(35-83)81-58(89)46-13-7-8-26-71-57(88)49(31-39-17-22-44(67)23-18-39)78-62(93)52(74-38(4)84)34-55(86)75-46/h5-6,11-12,16-25,30,36-37,46-54,83,85H,7-10,13-15,26-29,31-35H2,1-4H3,(H2,68,87)(H,71,88)(H,73,95)(H,74,84)(H,75,86)(H,76,90)(H,77,92)(H,78,93)(H,79,91)(H,80,94)(H,81,89)(H4,69,70,72)/t37?,46?,47-,48+,49+,50-,51?,52?,53-,54+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293				J Med Chem 43: 797-806 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QD5
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