Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470097'   

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)	BDBM50470097 (CHEMBL262235) Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.80,(30.87,-6.95,;30.88,-8.47,;29.57,-9.26,;28.22,-8.5,;26.93,-9.26,;28.18,-6.99,;29.41,-6.11,;28.89,-4.67,;27.37,-4.67,;26.93,-6.12,;25.61,-6.86,;25.6,-8.4,;24.28,-6.11,;24.29,-4.57,;25.63,-3.81,;25.64,-2.26,;26.98,-1.51,;26.99,.02,;28.31,.79,;25.66,.8,;22.94,-6.86,;21.62,-6.09,;21.62,-4.55,;20.27,-6.83,;20.27,-8.37,;21.59,-9.17,;21.58,-10.69,;22.93,-8.39,;18.95,-6.06,;17.62,-6.82,;17.6,-8.34,;16.31,-6.05,;16.32,-4.51,;15.83,-3.06,;14.39,-2.57,;14.39,-1.03,;15.85,-.56,;16.48,.84,;18.01,1,;18.91,-.24,;18.28,-1.65,;16.73,-1.81,;14.97,-6.8,;13.64,-6.02,;13.64,-4.48,;12.3,-6.79,;12.29,-8.31,;13.6,-9.1,;13.6,-10.62,;14.93,-11.42,;16.27,-10.66,;17.59,-11.43,;16.28,-9.11,;14.95,-8.34,;10.98,-5.99,;9.65,-6.75,;9.63,-8.31,;8.31,-5.98,;8.33,-4.45,;9.66,-3.7,;6.98,-6.73,;5.64,-5.96,;5.67,-4.44,;4.31,-6.72,;4.31,-8.27,;5.63,-9.07,;6.99,-8.33,;8.31,-9.11,;8.24,-10.66,;6.91,-11.4,;6.89,-12.94,;5.54,-13.68,;4.22,-12.9,;4.25,-11.35,;5.6,-10.61,;2.99,-5.96,;1.64,-6.7,;1.72,-8.21,;.26,-6.02,;-1.15,-7.02,;-2.7,-6.31,;-2.88,-4.61,;-4.43,-3.9,;-5.84,-4.9,;-7.36,-4.12,;-5.65,-6.6,;-4.11,-7.31,)| Show InChI InChI=1S/C64H79FN12O10/c1-4-68-62(86)55-19-11-31-77(55)63(87)49(18-10-30-69-64(66)67)72-57(81)50(32-38(2)3)73-60(84)53(35-43-36-70-48-17-8-7-16-47(43)48)75-58(82)51(33-40-22-27-45(79)28-23-40)74-61(85)54(37-78)76-59(83)52(34-42-14-9-13-41-12-5-6-15-46(41)42)71-56(80)29-24-39-20-25-44(65)26-21-39/h5-9,12-17,20-23,25-28,36,38,49-55,70,78-79H,4,10-11,18-19,24,29-35,37H2,1-3H3,(H,68,86)(H,71,80)(H,72,81)(H,73,84)(H,74,85)(H,75,82)(H,76,83)(H4,66,67,69)/t49-,50-,51-,52-,53+,54-,55+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0170	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
					More data for this Ligand-Target Pair