Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470131'   

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)	BDBM50470131 (CHEMBL406886) 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](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc(O)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.79,(30.69,-11.38,;30.69,-12.94,;29.38,-13.72,;28.04,-12.95,;26.72,-13.72,;28,-11.44,;29.22,-10.55,;28.71,-9.11,;27.17,-9.13,;26.74,-10.57,;25.41,-11.32,;25.4,-12.85,;24.09,-10.55,;24.1,-9.01,;25.43,-8.24,;25.44,-6.7,;26.79,-5.94,;26.79,-4.4,;28.13,-3.65,;25.46,-3.63,;22.75,-11.32,;21.41,-10.54,;21.43,-8.98,;20.06,-11.28,;20.06,-12.84,;21.4,-13.62,;21.37,-15.16,;22.72,-12.85,;18.74,-10.52,;17.4,-11.27,;17.39,-12.81,;16.08,-10.48,;16.09,-8.95,;15.61,-7.49,;14.16,-7.01,;14.16,-5.46,;15.63,-5,;16.25,-3.6,;17.79,-3.44,;18.68,-4.69,;18.06,-6.1,;16.53,-6.26,;14.74,-11.25,;13.4,-10.47,;13.4,-8.94,;12.05,-11.22,;12.05,-12.78,;13.39,-13.56,;14.71,-12.79,;16.06,-13.58,;16.05,-15.13,;17.37,-15.9,;14.7,-15.89,;13.37,-15.1,;10.74,-10.45,;9.4,-11.21,;9.38,-12.76,;8.07,-10.42,;8.08,-8.9,;9.42,-8.15,;6.73,-11.19,;5.39,-10.42,;5.41,-8.88,;4.05,-11.18,;4.05,-12.73,;5.36,-13.49,;6.79,-12.89,;7.81,-14.04,;7.03,-15.35,;7.49,-16.83,;6.45,-17.97,;4.94,-17.65,;4.48,-16.17,;5.52,-15.03,;2.73,-10.41,;1.39,-11.18,;1.36,-12.73,;.06,-10.38,;-1.3,-11.09,;-2.59,-10.32,;-3.96,-11.05,;-3.99,-12.62,;-5.35,-13.36,;-2.68,-13.4,;-1.33,-12.66,)| Show InChI InChI=1S/C61H77N13O11/c1-4-64-59(84)52-16-10-26-74(52)60(85)46(15-9-25-65-61(62)63)69-54(79)47(27-35(2)3)70-57(82)50(31-39-33-67-45-14-8-6-12-43(39)45)72-55(80)48(28-36-17-21-40(76)22-18-36)71-58(83)51(34-75)73-56(81)49(30-38-32-66-44-13-7-5-11-42(38)44)68-53(78)29-37-19-23-41(77)24-20-37/h5-8,11-14,17-24,32-33,35,46-52,66-67,75-77H,4,9-10,15-16,25-31,34H2,1-3H3,(H,64,84)(H,68,78)(H,69,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H4,62,63,65)/t46-,47-,48-,49-,50+,51-,52+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.813	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