Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50470104'   

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)	BDBM50470104 (CHEMBL217013) 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)c1cc2cc(F)ccc2[nH]1 |wU:57.63,12.20,wD:63.79,45.57,31.44,23.28,5.4,(26.31,-8.37,;26.34,-9.91,;25.01,-10.68,;23.67,-9.93,;22.37,-10.68,;23.64,-8.42,;24.85,-7.53,;24.34,-6.09,;22.82,-6.09,;22.37,-7.54,;21.04,-8.3,;21.02,-9.83,;19.71,-7.53,;19.73,-5.97,;21.05,-5.22,;21.07,-3.68,;22.42,-2.91,;22.43,-1.38,;23.77,-.62,;21.09,-.59,;18.38,-8.27,;17.05,-7.51,;17.05,-5.96,;15.7,-8.26,;15.69,-9.81,;17.02,-10.58,;17.01,-12.12,;18.36,-9.81,;14.36,-7.47,;13.04,-8.24,;13.01,-9.78,;11.7,-7.46,;11.72,-5.93,;11.25,-4.46,;9.78,-3.98,;9.78,-2.43,;11.25,-1.96,;11.88,-.56,;13.42,-.4,;14.33,-1.64,;13.69,-3.05,;12.15,-3.21,;10.38,-8.23,;9.04,-7.44,;9.04,-5.9,;7.7,-8.21,;7.69,-9.75,;9.01,-10.52,;9.01,-12.07,;10.32,-12.85,;11.67,-12.09,;13,-12.85,;11.69,-10.55,;10.36,-9.77,;6.37,-7.41,;5.03,-8.18,;5.01,-9.74,;3.69,-7.4,;3.72,-5.87,;5.04,-5.1,;2.35,-8.17,;1.02,-7.38,;1.04,-5.84,;-.31,-8.15,;-.32,-9.68,;1,-10.47,;2.41,-9.84,;3.44,-11,;2.67,-12.33,;3.12,-13.8,;2.09,-14.94,;.59,-14.62,;.11,-13.14,;1.16,-12.01,;-1.63,-7.38,;-2.97,-8.14,;-2.87,-9.67,;-4.36,-7.46,;-5.5,-8.5,;-6.84,-7.7,;-8.3,-8.18,;-9.44,-7.11,;-10.91,-7.59,;-9.09,-5.62,;-7.61,-5.17,;-6.5,-6.21,;-4.95,-6.06,)| Show InChI InChI=1S/C62H75FN14O10/c1-4-66-60(86)53-16-10-24-77(53)61(87)46(15-9-23-67-62(64)65)71-54(80)47(25-34(2)3)72-57(83)50(29-37-31-68-44-13-7-5-11-41(37)44)74-55(81)48(26-35-17-20-40(79)21-18-35)73-59(85)52(33-78)76-58(84)51(30-38-32-69-45-14-8-6-12-42(38)45)75-56(82)49-28-36-27-39(63)19-22-43(36)70-49/h5-8,11-14,17-22,27-28,31-32,34,46-48,50-53,68-70,78-79H,4,9-10,15-16,23-26,29-30,33H2,1-3H3,(H,66,86)(H,71,80)(H,72,83)(H,73,85)(H,74,81)(H,75,82)(H,76,84)(H4,64,65,67)/t46-,47-,48-,50+,51-,52-,53+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12.3	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