Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470128'   

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)	BDBM50470128 (CHEMBL439292) 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]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.60,12.20,wD:31.44,45.57,23.28,5.4,64.69,(25.56,-6.15,;25.57,-7.67,;24.25,-8.46,;22.9,-7.7,;21.61,-8.46,;22.86,-6.19,;24.09,-5.31,;23.57,-3.87,;22.05,-3.87,;21.61,-5.32,;20.29,-6.06,;20.28,-7.61,;18.96,-5.31,;18.97,-3.77,;20.31,-3,;20.32,-1.46,;21.66,-.71,;21.67,.83,;22.99,1.6,;20.34,1.61,;17.62,-6.06,;16.3,-5.29,;16.3,-3.74,;14.95,-6.03,;14.95,-7.57,;16.26,-8.37,;16.25,-9.89,;17.61,-7.6,;13.63,-5.26,;12.3,-6.02,;12.27,-7.54,;10.98,-5.25,;10.99,-3.71,;10.5,-2.25,;9.06,-1.77,;9.06,-.23,;10.52,.25,;11.15,1.64,;12.68,1.8,;13.58,.57,;12.95,-.85,;11.4,-1.01,;9.63,-6,;8.3,-5.22,;8.3,-3.68,;6.96,-5.99,;6.96,-7.51,;8.28,-8.3,;8.27,-9.85,;9.6,-10.62,;10.94,-9.86,;12.26,-10.63,;10.95,-8.31,;9.62,-7.54,;5.64,-5.19,;4.31,-5.95,;4.29,-7.51,;2.97,-5.16,;3.48,-3.84,;2.26,-3.2,;1.3,-4.16,;1.64,-5.93,;.3,-5.16,;.33,-3.64,;-1.03,-5.92,;-1.05,-7.47,;.29,-8.25,;1.71,-7.63,;2.71,-8.77,;1.94,-10.11,;2.39,-11.57,;1.36,-12.69,;-.13,-12.37,;-.6,-10.91,;.43,-9.78,;-2.35,-5.16,;-3.69,-5.9,;-3.63,-7.41,;-5.07,-5.22,;-6.49,-6.22,;-8.04,-5.51,;-8.21,-3.81,;-9.77,-3.09,;-11.19,-4.09,;-12.7,-3.29,;-11,-5.8,;-9.43,-6.51,)| Show InChI InChI=1S/C64H80FN13O9/c1-4-68-60(84)54-17-10-30-77(54)62(86)49(16-9-29-69-64(66)67)73-57(81)50(32-38(2)3)74-59(83)52(34-41-36-70-47-14-7-5-12-45(41)47)75-58(82)51(33-40-21-26-44(79)27-22-40)76-61(85)55-18-11-31-78(55)63(87)53(35-42-37-71-48-15-8-6-13-46(42)48)72-56(80)28-23-39-19-24-43(65)25-20-39/h5-8,12-15,19-22,24-27,36-38,49-55,70-71,79H,4,9-11,16-18,23,28-35H2,1-3H3,(H,68,84)(H,72,80)(H,73,81)(H,74,83)(H,75,82)(H,76,85)(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	0.832	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