Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470085'   

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)	BDBM50470085 (CHEMBL438195) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O Show InChI InChI=1S/C70H93FN12O12/c1-43(2)38-56(65(90)79-55(22-10-11-35-74-44(3)4)70(95)83-37-15-23-59(83)67(92)76-45(5)62(72)87)80-64(89)54(21-9-12-36-75-63(88)50-19-14-34-73-41-50)78-68(93)60(39-47-26-31-52(85)32-27-47)82(6)69(94)58(42-84)81-66(91)57(40-49-18-13-17-48-16-7-8-20-53(48)49)77-61(86)33-28-46-24-29-51(71)30-25-46/h7-8,13-14,16-20,24-27,29-32,34,41,43-45,54-60,74,84-85H,9-12,15,21-23,28,33,35-40,42H2,1-6H3,(H2,72,87)(H,75,88)(H,76,92)(H,77,86)(H,78,93)(H,79,90)(H,80,89)(H,81,91)/t45-,54-,55+,56+,57+,58+,59-,60+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TAP Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor.				J Med Chem 37: 701-5 (1994) Article DOI: 10.1021/jm00031a021 BindingDB Entry DOI: 10.7270/Q2MG7S7B
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