Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50085748'   

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)	BDBM50085748 (CHEMBL407186 | cyclo(1-3)Ac-D-Glu-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)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C(CCC(=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/C67H90ClN15O14/c1-37(2)31-50(61(92)77-49(14-9-29-73-67(70)71)66(97)83-30-10-15-55(83)65(96)74-38(3)57(69)88)78-63(94)53(35-42-16-21-43-11-5-6-12-44(43)32-42)80-62(93)52(34-41-19-24-46(86)25-20-41)81-64(95)54(36-84)82-59(90)47-13-7-8-28-72-58(89)51(33-40-17-22-45(68)23-18-40)79-60(91)48(75-39(4)85)26-27-56(87)76-47/h5-6,11-12,16-25,32,37-38,47-55,84,86H,7-10,13-15,26-31,33-36H2,1-4H3,(H2,69,88)(H,72,89)(H,74,96)(H,75,85)(H,76,87)(H,77,92)(H,78,94)(H,79,91)(H,80,93)(H,81,95)(H,82,90)(H4,70,71,73)/t38?,47-,48?,49+,50-,51-,52+,53?,54+,55-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	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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