Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470082'   

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)	BDBM50470082 (CHEMBL408861) 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(Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,(25.92,-4.76,;25.93,-6.28,;24.61,-7.08,;23.26,-6.31,;21.98,-7.08,;23.23,-4.8,;24.45,-3.92,;23.94,-2.49,;22.42,-2.49,;21.98,-3.93,;20.66,-4.67,;20.65,-6.22,;19.33,-3.92,;19.34,-2.38,;20.68,-1.62,;20.69,-.08,;22.03,.68,;22.04,2.21,;23.36,2.98,;20.71,2.99,;17.99,-4.67,;16.67,-3.9,;16.67,-2.36,;15.32,-4.64,;15.32,-6.19,;16.64,-6.98,;16.63,-8.5,;17.98,-6.21,;14,-3.87,;12.67,-4.63,;12.65,-6.15,;11.35,-3.86,;11.36,-2.33,;10.88,-.87,;9.43,-.39,;9.43,1.16,;10.9,1.63,;11.52,3.02,;13.06,3.18,;13.96,1.95,;13.33,.54,;11.78,.38,;10.01,-4.61,;8.68,-3.84,;8.68,-2.29,;7.34,-4.6,;7.34,-6.12,;8.66,-6.91,;8.65,-8.46,;9.98,-9.23,;11.32,-8.47,;12.64,-9.24,;11.33,-6.93,;10,-6.15,;6.02,-3.81,;4.7,-4.57,;4.67,-6.12,;3.36,-3.79,;3.38,-2.26,;4.71,-1.51,;2.03,-4.55,;.69,-3.77,;.72,-2.25,;-.64,-4.53,;-.64,-6.08,;.68,-6.88,;2.04,-6.14,;3.36,-6.93,;3.29,-8.47,;1.96,-9.21,;1.94,-10.75,;.59,-11.49,;-.73,-10.71,;-.71,-9.17,;.64,-8.43,;-1.96,-3.77,;-3.3,-4.51,;-3.28,-6.05,;-4.65,-3.77,;-6.1,-4.73,;-7.62,-3.96,;-7.72,-2.23,;-9.25,-1.46,;-10.7,-2.39,;-12.19,-1.55,;-10.58,-4.13,;-9.06,-4.9,)| 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