Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470127'   

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)	BDBM50470127 (CHEMBL2369141) 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:57.63,12.20,63.67,wD:45.57,31.44,23.28,5.4,(37.09,-9.27,;37.09,-10.82,;35.77,-11.59,;34.44,-10.84,;33.14,-11.59,;34.41,-9.34,;35.61,-8.44,;35.1,-7.01,;33.59,-7.01,;33.16,-8.46,;31.82,-9.21,;31.82,-10.74,;30.5,-8.44,;30.5,-6.89,;31.85,-6.14,;31.85,-4.61,;33.2,-3.84,;33.2,-2.32,;34.54,-1.55,;31.88,-1.52,;29.17,-9.2,;27.83,-8.43,;27.85,-6.88,;26.5,-9.18,;26.48,-10.71,;27.82,-11.49,;27.8,-13.04,;29.15,-10.72,;25.16,-8.4,;23.84,-9.14,;23.83,-10.69,;22.52,-8.37,;22.52,-6.85,;22.06,-5.38,;20.59,-4.9,;20.59,-3.36,;22.07,-2.89,;22.68,-1.49,;24.23,-1.33,;25.13,-2.58,;24.48,-4,;22.96,-4.15,;21.19,-9.14,;19.85,-8.36,;19.85,-6.83,;18.5,-9.11,;18.5,-10.66,;19.82,-11.43,;19.82,-12.97,;21.14,-13.74,;22.49,-13,;23.81,-13.76,;22.49,-11.46,;21.17,-10.68,;17.18,-8.34,;15.87,-9.08,;15.83,-10.62,;14.54,-8.31,;14.55,-6.8,;15.87,-6.02,;13.2,-9.08,;11.87,-8.31,;11.88,-6.76,;10.53,-9.05,;10.52,-10.59,;11.85,-11.38,;13.26,-10.75,;14.28,-11.91,;13.49,-13.23,;13.96,-14.71,;12.93,-15.83,;11.43,-15.51,;10.95,-14.03,;12,-12.91,;9.21,-8.3,;7.86,-9.05,;7.89,-10.56,;6.51,-8.31,;5.08,-9.27,;3.54,-8.52,;3.42,-6.8,;1.88,-6.05,;.45,-7.01,;-1.05,-6.17,;.58,-8.73,;2.12,-9.47,)| 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	0.0290	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