Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin' and Ligand = 'BDBM50009567'   

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))	BDBM50009567 (CHEMBL3234458) 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](C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:43.45,wD:28.28,(32.21,-2.84,;33.55,-3.6,;33.56,-5.14,;32.23,-5.92,;32.24,-7.46,;34.89,-5.89,;34.9,-7.45,;36.25,-8.2,;37.57,-7.43,;38.91,-8.18,;38.93,-9.72,;37.6,-10.51,;37.62,-12.05,;38.96,-12.79,;40.29,-12.01,;40.27,-10.47,;41.6,-9.69,;40.24,-8.94,;42.94,-10.44,;42.92,-8.9,;38.97,-14.33,;37.43,-14.35,;38.22,-15.67,;40.31,-15.09,;40.31,-16.64,;41.64,-17.41,;41.64,-18.95,;42.98,-19.72,;42.98,-21.26,;44.31,-22.03,;45.64,-21.26,;45.64,-19.72,;46.98,-22.03,;48.31,-21.26,;48.47,-19.72,;49.98,-19.4,;50.75,-20.74,;52.28,-20.9,;49.71,-21.88,;50.1,-23.36,;41.64,-22.03,;41.64,-23.57,;40.31,-21.26,;38.97,-22.03,;38.97,-23.57,;37.64,-21.26,;37.64,-19.72,;36.31,-22.03,;34.97,-21.26,;34.98,-19.72,;33.66,-18.95,;32.32,-19.72,;30.99,-18.94,;32.31,-21.26,;33.65,-22.04,;40.24,-7.39,;41.56,-8.14,;42.88,-7.37,;42.86,-5.83,;41.54,-5.09,;40.23,-5.86,;38.89,-5.1,;37.57,-5.88,;36.23,-5.12,;44.19,-5.05,;45.53,-5.81,;46.86,-5.02,;44.17,-3.51,;42.83,-2.75,)| Show InChI InChI=1S/C48H65N9O9S3/c1-8-56(9-2)33-15-18-37-41(26-33)66-42-27-34(57(10-3)11-4)16-19-38(42)45(37)39-20-17-36(29-43(39)69(63,64)65)68(61,62)50-23-13-12-14-40(53-44(58)28-35-30-67-48(49)55(35)7)47(60)51-31(5)46(59)52-32-21-24-54(6)25-22-32/h15-20,26-27,29-32,40,49-50H,8-14,21-25,28H2,1-7H3,(H3-,51,52,53,58,59,60,63,64,65)/t31-,40-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	450	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