Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50027894'   

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 receptor (Homo sapiens (Human))	BDBM50027894 (CHEMBL3338697) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C93H146N18O19/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-35-74(117)106-75(54(6)7)87(125)107-76(55(8)9)88(126)110-79(59(13)114)91(129)105-72(47-53(4)5)92(130)111-45-30-34-73(111)86(124)102-68(46-52(2)3)83(121)101-71(50-62-51-98-66-32-28-27-31-65(62)66)82(120)99-56(10)81(119)108-77(57(11)112)89(127)104-70(49-61-38-42-64(116)43-39-61)85(123)109-78(58(12)113)90(128)103-69(48-60-36-40-63(115)41-37-60)84(122)100-67(80(94)118)33-29-44-97-93(95)96/h27-28,31-32,36-43,51-59,67-73,75-79,98,112-116H,14-26,29-30,33-35,44-50H2,1-13H3,(H2,94,118)(H,99,120)(H,100,122)(H,101,121)(H,102,124)(H,103,128)(H,104,127)(H,105,129)(H,106,117)(H,107,125)(H,108,119)(H,109,123)(H,110,126)(H4,95,96,97)/t56-,57+,58+,59+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...				Bioorg Med Chem Lett 24: 4871-5 (2014) Article DOI: 10.1016/j.bmcl.2014.08.045 BindingDB Entry DOI: 10.7270/Q2D50PH2
					More data for this Ligand-Target Pair