Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin' and Ligand = 'BDBM50009570'   

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
Apelin (Homo sapiens (Human))	BDBM50009570 (CHEMBL3234460) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CCOCC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:43.45,wD:28.28,(13.43,-5.41,;13.42,-3.87,;14.74,-3.09,;14.74,-1.55,;13.4,-.79,;16.07,-3.85,;16.08,-5.4,;17.42,-6.16,;18.75,-5.38,;20.09,-6.13,;20.1,-7.67,;18.77,-8.46,;18.79,-10,;20.13,-10.75,;21.46,-9.97,;21.45,-8.43,;22.77,-7.65,;21.42,-6.9,;24.1,-6.87,;24.11,-8.41,;20.14,-12.29,;19.38,-13.63,;18.6,-12.3,;21.49,-13.05,;21.48,-14.6,;22.82,-15.37,;22.82,-16.91,;24.15,-17.68,;24.15,-19.22,;25.48,-19.99,;26.82,-19.22,;26.82,-17.68,;28.15,-19.99,;29.48,-19.22,;29.64,-17.69,;31.15,-17.37,;31.92,-18.7,;33.45,-18.86,;30.89,-19.85,;31.28,-21.33,;22.82,-19.99,;22.82,-21.53,;21.48,-19.22,;20.15,-19.99,;20.15,-21.53,;21.33,-22.52,;22.8,-22.06,;23.69,-23.32,;25.2,-23.59,;25.72,-25.04,;24.73,-26.21,;25.25,-27.66,;26.77,-27.93,;27.76,-26.74,;27.24,-25.3,;22.76,-24.55,;21.3,-24.05,;20.2,-25.14,;18.82,-19.22,;18.82,-17.68,;17.48,-19.99,;16.15,-19.22,;16.15,-17.68,;14.82,-16.91,;13.48,-17.67,;13.48,-19.21,;14.81,-19.99,;21.41,-5.35,;22.74,-6.1,;24.06,-5.33,;24.04,-3.8,;22.72,-3.05,;21.41,-3.82,;20.07,-3.05,;18.75,-3.84,;17.41,-3.07,;25.37,-3.01,;26.71,-3.77,;28.04,-2.99,;25.36,-1.47,;24.01,-.72,)| Show InChI InChI=1S/C58H72N10O10S3/c1-7-67(8-2)41-19-22-46-51(31-41)78-52-32-42(68(9-3)10-4)20-23-47(52)55(46)48-24-21-45(34-53(48)81(74,75)76)80(72,73)60-27-15-14-18-49(62-54(69)33-44-37-79-58(59)65(44)6)56(70)63-50(57(71)61-40-25-28-77-29-26-40)30-43-36-66(38-64(43)5)35-39-16-12-11-13-17-39/h11-13,16-17,19-24,31-32,34,36-38,40,49-50,59-60H,7-10,14-15,18,25-30,33,35H2,1-6H3,(H2-2,61,62,63,69,70,71,74,75,76)/p+1/t49-,50-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis				J Med Chem 57: 2908-19 (2014) Article DOI: 10.1021/jm401789v BindingDB Entry DOI: 10.7270/Q21J9C9F
					More data for this Ligand-Target Pair