Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin' and Ligand = 'BDBM50009557'   

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))	BDBM50009557 (CHEMBL3234451) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)[nH]3)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[nH+]3)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:58.60,wD:44.44,(36.78,-4.41,;38.12,-3.64,;39.45,-4.42,;40.79,-3.65,;40.79,-2.11,;39.44,-5.95,;38.1,-6.72,;38.09,-8.26,;39.42,-9.03,;39.43,-10.57,;38.09,-11.34,;36.75,-10.57,;35.42,-11.34,;35.43,-12.87,;36.76,-13.65,;38.09,-12.88,;39.43,-13.65,;39.42,-12.1,;40.76,-14.42,;39.43,-15.19,;34.09,-13.64,;32.55,-13.64,;33.32,-12.31,;34.09,-15.18,;32.76,-15.95,;31.43,-15.18,;30.09,-15.95,;28.76,-15.18,;27.42,-15.95,;26.09,-15.18,;24.76,-15.95,;23.42,-15.18,;22.09,-15.95,;20.76,-15.18,;19.42,-15.95,;18.09,-15.18,;16.76,-15.95,;15.42,-15.18,;15.42,-13.64,;14.09,-15.95,;14.09,-17.49,;15.42,-18.26,;15.42,-19.8,;16.76,-20.57,;16.76,-22.11,;18.09,-22.88,;19.42,-22.11,;19.42,-20.57,;20.76,-22.88,;22.09,-22.11,;22.25,-20.58,;23.75,-20.26,;24.52,-21.6,;26.06,-21.76,;23.49,-22.74,;15.42,-22.88,;15.42,-24.42,;14.09,-22.11,;12.75,-22.88,;12.75,-24.42,;13.93,-25.41,;15.41,-24.95,;16.29,-26.21,;17.81,-26.49,;18.33,-27.94,;17.33,-29.1,;17.85,-30.55,;19.37,-30.82,;20.37,-29.64,;19.84,-28.2,;15.37,-27.45,;13.91,-26.95,;11.42,-22.11,;11.42,-20.57,;10.09,-22.88,;8.75,-22.11,;8.75,-20.57,;7.43,-19.8,;6.09,-20.57,;4.99,-19.46,;6.09,-22.11,;7.42,-22.89,;40.77,-11.34,;40.76,-12.86,;42.08,-13.63,;43.41,-12.86,;43.41,-11.34,;42.09,-10.58,;42.1,-9.04,;40.77,-8.27,;40.78,-6.73,;44.74,-13.63,;46.07,-12.86,;46.07,-11.32,;44.74,-15.17,;46.08,-15.94,)| Show InChI InChI=1S/C70H97N13O10S3/c1-6-82(7-2)54-28-31-57-62(43-54)93-63-44-55(83(8-3)9-4)29-32-58(63)66(57)59-33-30-56(45-64(59)96(90,91)92)95(88,89)75-38-23-17-15-13-11-10-12-14-16-22-36-72-70(87)73-37-24-21-27-60(78-65(84)42-53-48-94-69(71)77-53)67(85)79-61(68(86)76-51-34-39-80(5)40-35-51)41-52-47-81(49-74-52)46-50-25-19-18-20-26-50/h18-20,25-26,28-33,43-45,47-49,51,60-61,75H,6-17,21-24,27,34-42,46H2,1-5H3,(H7-,71,72,73,76,77,78,79,84,85,86,87,90,91,92)/p+2/t60-,61-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	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