Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470105'   

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)	BDBM50470105 (CHEMBL405993) 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)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:60.65,12.20,wD:48.59,23.28,31.46,5.4,66.69,(29.35,-7.64,;29.38,-9.17,;28.05,-9.96,;26.71,-9.2,;25.41,-9.96,;26.68,-7.69,;27.89,-6.8,;27.38,-5.36,;25.84,-5.36,;25.42,-6.81,;24.09,-7.56,;24.07,-9.1,;22.74,-6.8,;22.77,-5.26,;24.1,-4.49,;24.12,-2.95,;25.45,-2.19,;25.47,-.66,;26.81,.12,;24.13,.13,;21.42,-7.56,;20.09,-6.78,;20.1,-5.23,;18.75,-7.52,;18.73,-9.07,;20.07,-9.87,;20.04,-11.39,;21.39,-9.09,;17.41,-6.75,;16.07,-7.51,;16.07,-9.04,;14.75,-6.74,;14.84,-5.2,;13.62,-4.24,;14.13,-2.78,;12.78,-1.75,;13.45,-.37,;12.59,.94,;13.25,2.32,;11.01,.8,;10.17,2.09,;8.59,1.96,;7.94,.58,;8.84,-.71,;10.36,-.56,;13.43,-7.49,;12.07,-6.72,;12.07,-5.17,;10.74,-7.48,;10.74,-9.01,;12.06,-9.8,;13.39,-9.04,;14.74,-9.81,;14.71,-11.36,;16.04,-12.14,;13.38,-12.12,;12.04,-11.35,;9.42,-6.69,;8.07,-7.45,;8.06,-9.01,;6.75,-6.67,;6.75,-5.14,;8.09,-4.39,;5.4,-7.43,;4.07,-6.65,;4.1,-5.13,;2.72,-7.42,;2.72,-8.96,;4.04,-9.75,;5.46,-9.13,;6.49,-10.26,;5.71,-11.61,;6.17,-13.07,;5.14,-14.2,;3.62,-13.88,;3.16,-12.41,;4.2,-11.29,;1.4,-6.65,;.06,-7.4,;.06,-8.93,;-1.28,-6.65,;-2.74,-7.58,;-4.28,-6.78,;-4.34,-5.06,;-5.87,-4.27,;-7.32,-5.19,;-8.82,-4.32,;-7.24,-6.91,;-5.71,-7.71,)| Show InChI InChI=1S/C63H83FN14O11/c1-4-68-61(88)53-17-11-31-78(53)62(89)48(16-10-30-70-63(65)66)74-57(84)49(32-38(2)3)75-56(83)47(15-7-8-29-69-55(82)41-12-9-28-67-35-41)73-58(85)50(33-40-20-25-44(80)26-21-40)76-60(87)52(37-79)77-59(86)51(34-42-36-71-46-14-6-5-13-45(42)46)72-54(81)27-22-39-18-23-43(64)24-19-39/h5-6,9,12-14,18-21,23-26,28,35-36,38,47-53,71,79-80H,4,7-8,10-11,15-17,22,27,29-34,37H2,1-3H3,(H,68,88)(H,69,82)(H,72,81)(H,73,85)(H,74,84)(H,75,83)(H,76,87)(H,77,86)(H4,65,66,70)/t47-,48+,49+,50+,51+,52+,53-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0230	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