Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50085792'   

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)	BDBM50085792 (CHEMBL415608 | Gonadotropin Releasing Hormone anal...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)NC(C)=O Show InChI InChI=1S/C66H89ClN16O12/c1-37(2)31-50-61(91)78-49(65(95)83-30-12-18-54(83)64(94)74-38(3)56(68)86)16-8-9-28-72-55(85)26-25-48(76-40(5)84)59(89)80-51(33-41-20-23-46(67)24-21-41)62(92)82-53(35-43-13-10-27-71-36-43)60(90)75-39(4)57(87)77-47(17-11-29-73-66(69)70)58(88)81-52(63(93)79-50)34-42-19-22-44-14-6-7-15-45(44)32-42/h6-7,10,13-15,19-24,27,32,36-39,47-54H,8-9,11-12,16-18,25-26,28-31,33-35H2,1-5H3,(H2,68,86)(H,72,85)(H,74,94)(H,75,90)(H,76,84)(H,77,87)(H,78,91)(H,79,93)(H,80,89)(H,81,88)(H,82,92)(H4,69,70,73)/t38-,39-,47-,48+,49-,50-,51-,52-,53-,54-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor				J Med Chem 43: 807-18 (2000) BindingDB Entry DOI: 10.7270/Q28P5ZQW
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