Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470084'   

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)	BDBM50470084 (CHEMBL428299) 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](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(21.23,-6.64,;21.25,-8.17,;19.93,-8.96,;18.58,-8.2,;17.28,-8.96,;18.55,-6.69,;19.77,-5.8,;19.25,-4.36,;17.71,-4.36,;17.29,-5.81,;15.96,-6.56,;15.94,-8.1,;14.62,-5.8,;14.64,-4.26,;15.97,-3.49,;15.99,-1.95,;17.33,-1.19,;17.35,.34,;18.68,1.12,;16,1.13,;13.3,-6.56,;11.96,-5.78,;11.97,-4.23,;10.62,-6.52,;10.61,-8.07,;11.94,-8.87,;13.26,-8.09,;11.91,-10.39,;9.29,-5.75,;7.94,-6.51,;7.94,-8.04,;6.62,-5.74,;6.72,-4.2,;5.49,-3.24,;6.01,-1.78,;4.65,-.75,;5.32,.63,;4.46,1.93,;5.13,3.32,;2.88,1.79,;2.04,3.08,;.46,2.96,;-.18,1.58,;.71,.29,;2.24,.42,;5.29,-6.49,;3.94,-5.72,;3.94,-4.17,;2.61,-6.48,;2.59,-8.01,;3.91,-8.8,;3.91,-10.33,;5.26,-11.12,;6.59,-10.36,;7.91,-11.14,;6.61,-8.81,;5.27,-8.04,;1.29,-5.69,;1.3,-4.14,;-.05,-6.45,;-.06,-8.01,;-1.38,-5.68,;-1.38,-4.14,;-.03,-3.39,;-2.73,-6.43,;-4.05,-5.65,;-4.03,-4.13,;-5.41,-6.42,;-5.41,-7.96,;-4.08,-8.75,;-2.67,-8.13,;-1.63,-9.27,;-2.42,-10.61,;-1.96,-12.07,;-2.99,-13.2,;-4.5,-12.88,;-4.97,-11.41,;-3.92,-10.29,;-6.73,-5.65,;-8.05,-6.42,;-8.08,-7.93,;-9.38,-5.62,;-10.86,-6.52,;-12.37,-5.69,;-13.83,-6.59,;-15.34,-5.77,;-15.4,-4.04,;-17.04,-3.56,;-13.92,-3.14,;-12.4,-3.98,)| Show InChI InChI=1S/C64H85ClN14O11/c1-5-69-60(87)53-18-12-32-79(53)63(90)49(17-11-31-71-64(66)67)75-58(85)50(33-39(2)3)76-57(84)48(16-8-9-30-70-56(83)42-13-10-29-68-36-42)74-61(88)54(34-41-21-26-45(81)27-22-41)78(4)62(89)52(38-80)77-59(86)51(35-43-37-72-47-15-7-6-14-46(43)47)73-55(82)28-23-40-19-24-44(65)25-20-40/h6-7,10,13-15,19-22,24-27,29,36-37,39,48-54,72,80-81H,5,8-9,11-12,16-18,23,28,30-35,38H2,1-4H3,(H,69,87)(H,70,83)(H,73,82)(H,74,88)(H,75,85)(H,76,84)(H,77,86)(H4,66,67,71)/t48-,49+,50+,51+,52+,53-,54+/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
					More data for this Ligand-Target Pair