Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470124'   

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)	BDBM50470124 (CHEMBL437632) 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)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(28.48,-7.02,;28.49,-8.55,;27.17,-9.33,;25.82,-8.56,;24.53,-9.33,;25.79,-7.07,;27.01,-6.18,;26.49,-4.74,;24.97,-4.76,;24.53,-6.18,;23.22,-6.94,;23.21,-8.46,;21.89,-6.18,;21.9,-4.64,;23.24,-3.87,;23.25,-2.35,;24.59,-1.59,;24.6,-.04,;25.92,.71,;23.27,.73,;20.55,-6.92,;19.23,-6.15,;19.23,-4.61,;17.88,-6.91,;17.88,-8.45,;19.2,-9.23,;19.19,-10.77,;20.54,-8.46,;16.56,-6.14,;15.23,-6.89,;15.21,-8.42,;13.92,-6.12,;13.93,-4.57,;13.45,-3.13,;12,-2.65,;12,-1.1,;13.47,-.62,;14.09,.76,;15.62,.92,;16.52,-.32,;15.89,-1.74,;14.35,-1.87,;12.58,-6.88,;11.25,-6.09,;11.25,-4.56,;9.91,-6.86,;9.9,-8.39,;11.22,-9.17,;11.22,-10.71,;12.55,-11.48,;13.88,-10.73,;15.2,-11.48,;13.9,-9.19,;12.57,-8.4,;8.59,-6.07,;7.26,-6.82,;7.24,-8.37,;5.92,-6.05,;5.95,-4.53,;7.27,-3.77,;4.6,-6.81,;3.26,-6.04,;3.29,-4.51,;1.93,-6.79,;1.91,-8.34,;3.25,-9.11,;4.66,-8.5,;5.67,-9.64,;4.9,-10.97,;5.35,-12.44,;4.32,-13.56,;2.83,-13.24,;2.36,-11.77,;3.39,-10.65,;.61,-6.02,;-.73,-6.76,;-.71,-8.29,;-2.09,-6.04,;-3.52,-6.99,;-5.07,-6.21,;-5.16,-4.51,;-6.71,-3.74,;-8.13,-4.7,;-9.64,-3.86,;-8.02,-6.41,;-6.48,-7.18,)| Show InChI InChI=1S/C62H78FN13O10/c1-4-66-60(85)53-16-10-28-76(53)61(86)47(15-9-27-67-62(64)65)71-55(80)48(29-36(2)3)72-58(83)51(32-40-34-69-46-14-8-6-12-44(40)46)74-56(81)49(30-38-19-24-42(78)25-20-38)73-59(84)52(35-77)75-57(82)50(31-39-33-68-45-13-7-5-11-43(39)45)70-54(79)26-21-37-17-22-41(63)23-18-37/h5-8,11-14,17-20,22-25,33-34,36,47-53,68-69,77-78H,4,9-10,15-16,21,26-32,35H2,1-3H3,(H,66,85)(H,70,79)(H,71,80)(H,72,83)(H,73,84)(H,74,81)(H,75,82)(H4,64,65,67)/t47-,48-,49-,50-,51+,52-,53+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0330	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