Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470116'   

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)	BDBM50470116 (CHEMBL262977) 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)Cc1ccccc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.79,(32.81,-5.09,;32.83,-6.63,;31.49,-7.41,;30.15,-6.64,;28.86,-7.41,;30.12,-5.14,;31.33,-4.24,;30.82,-2.8,;29.31,-2.82,;28.87,-4.26,;27.52,-5.01,;27.52,-6.54,;26.21,-4.24,;26.21,-2.7,;27.56,-1.93,;27.56,-.4,;28.9,.37,;28.92,1.91,;30.25,2.66,;27.59,2.68,;24.86,-5.01,;23.54,-4.23,;23.55,-2.67,;22.2,-4.98,;22.17,-6.53,;23.52,-7.31,;23.49,-8.85,;24.85,-6.54,;20.86,-4.21,;19.52,-4.96,;19.52,-6.5,;18.2,-4.17,;18.2,-2.64,;17.74,-1.19,;16.28,-.7,;16.28,.85,;17.75,1.31,;18.36,2.71,;19.9,2.87,;20.82,1.62,;20.19,.21,;18.65,.05,;16.86,-4.94,;15.53,-4.16,;15.53,-2.63,;14.19,-4.93,;14.19,-6.47,;15.51,-7.25,;15.5,-8.79,;16.83,-9.58,;18.17,-8.82,;19.48,-9.59,;18.17,-7.27,;16.85,-6.48,;12.85,-4.14,;11.53,-4.9,;11.51,-6.45,;10.2,-4.11,;10.2,-2.59,;11.54,-1.84,;8.85,-4.88,;7.51,-4.11,;7.54,-2.57,;6.18,-4.87,;6.16,-6.42,;7.49,-7.19,;8.91,-6.58,;9.94,-7.73,;9.16,-9.04,;9.62,-10.52,;8.58,-11.66,;7.08,-11.34,;6.61,-9.86,;7.65,-8.72,;4.82,-4.05,;3.5,-4.85,;3.56,-6.41,;2.15,-4.11,;.81,-4.93,;.86,-6.48,;-.44,-7.28,;-1.79,-6.58,;-1.85,-5.01,;-.51,-4.21,)| Show InChI InChI=1S/C61H77N13O10/c1-4-64-59(83)52-21-13-27-74(52)60(84)46(20-12-26-65-61(62)63)69-54(78)47(28-36(2)3)70-57(81)50(32-40-34-67-45-19-11-9-17-43(40)45)72-55(79)48(29-38-22-24-41(76)25-23-38)71-58(82)51(35-75)73-56(80)49(68-53(77)30-37-14-6-5-7-15-37)31-39-33-66-44-18-10-8-16-42(39)44/h5-11,14-19,22-25,33-34,36,46-52,66-67,75-76H,4,12-13,20-21,26-32,35H2,1-3H3,(H,64,83)(H,68,77)(H,69,78)(H,70,81)(H,71,82)(H,72,79)(H,73,80)(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	0.832	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