Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50007954'   

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)	BDBM50007954 (CHEMBL407023 | pGlu-His-DHar(bCN)-Ser-Tyr-DArg-Leu...) Show SMILES CCCCNC(NCCCC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)=NC#N |w:95.99| Show InChI InChI=1S/C64H103N21O13/c1-7-8-25-72-64(74-35-65)73-27-12-9-15-43(78-59(95)49(32-41-33-69-36-75-41)83-56(92)45-23-24-52(88)77-45)55(91)84-50(34-86)60(96)82-48(31-40-19-21-42(87)22-20-40)58(94)79-44(17-13-28-71-63(67)68)54(90)81-47(30-37(2)3)57(93)80-46(16-10-11-26-70-38(4)5)62(98)85-29-14-18-51(85)61(97)76-39(6)53(66)89/h19-22,33,36-39,43-51,70,86-87H,7-18,23-32,34H2,1-6H3,(H2,66,89)(H,69,75)(H,76,97)(H,77,88)(H,78,95)(H,79,94)(H,80,93)(H,81,90)(H,82,96)(H,83,92)(H,84,91)(H4,67,68,71)(H2,72,73,74)/t39-,43-,44-,45+,46+,47+,48+,49+,50+,51+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes				J Med Chem 34: 2395-402 (1991) BindingDB Entry DOI: 10.7270/Q2SX6C54
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