Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470092'   

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)	BDBM50470092 (CHEMBL428138) 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(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,(33.55,-8.61,;33.56,-10.16,;32.24,-10.93,;30.9,-10.18,;29.61,-10.93,;30.86,-8.68,;32.08,-7.78,;31.57,-6.36,;30.05,-6.36,;29.61,-7.8,;28.3,-8.55,;28.28,-10.08,;26.97,-7.78,;26.98,-6.24,;28.3,-5.49,;28.33,-3.96,;29.66,-3.19,;29.68,-1.67,;30.99,-.91,;28.35,-.88,;25.63,-8.54,;24.31,-7.77,;24.31,-6.23,;22.97,-8.52,;22.97,-10.05,;24.28,-10.83,;24.27,-12.37,;25.62,-10.06,;21.65,-7.75,;20.32,-8.49,;20.3,-10.03,;19.01,-7.72,;19.02,-6.2,;18.54,-4.73,;17.09,-4.25,;17.09,-2.71,;18.56,-2.25,;19.18,-.85,;20.71,-.68,;21.61,-1.94,;20.98,-3.35,;19.43,-3.5,;17.67,-8.49,;16.34,-7.71,;16.34,-6.17,;15,-8.45,;14.99,-10,;16.31,-10.77,;16.31,-12.31,;17.64,-13.08,;18.97,-12.34,;20.29,-13.1,;18.98,-10.8,;17.66,-10.02,;13.69,-7.68,;12.36,-8.42,;12.34,-9.98,;11.02,-7.65,;11.04,-6.14,;12.37,-5.37,;9.7,-8.42,;8.36,-7.65,;8.39,-6.11,;7.03,-8.39,;7.01,-9.93,;8.35,-10.72,;9.76,-10.09,;10.77,-11.25,;10,-12.56,;10.44,-14.04,;9.42,-15.16,;7.93,-14.84,;7.46,-13.37,;8.49,-12.24,;5.71,-7.64,;4.38,-8.39,;4.34,-9.9,;3.03,-7.62,;1.58,-8.54,;.07,-7.72,;.01,-6.01,;-1.5,-5.21,;-2.95,-6.11,;-4.43,-5.24,;-2.89,-7.84,;-1.37,-8.64,)| Show InChI InChI=1S/C62H78ClN13O10/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	0.0520	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