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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50027849'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Apelin receptor


(Homo sapiens (Human))		BDBM50027849
PNG
(CHEMBL3338680)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](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/C86H133N17O18/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-32-70(109)92-51(6)75(111)100-72(54(9)105)84(120)99-68(44-50(4)5)85(121)103-42-27-31-69(103)81(117)96-64(43-49(2)3)78(114)95-67(47-58-48-91-62-29-25-24-28-61(58)62)77(113)93-52(7)76(112)101-71(53(8)104)82(118)98-66(46-57-35-39-60(108)40-36-57)80(116)102-73(55(10)106)83(119)97-65(45-56-33-37-59(107)38-34-56)79(115)94-63(74(87)110)30-26-41-90-86(88)89/h24-25,28-29,33-40,48-55,63-69,71-73,91,104-108H,11-23,26-27,30-32,41-47H2,1-10H3,(H2,87,110)(H,92,109)(H,93,113)(H,94,115)(H,95,114)(H,96,117)(H,97,119)(H,98,118)(H,99,120)(H,100,111)(H,101,112)(H,102,116)(H4,88,89,90)/t51-,52-,53+,54+,55+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-/m0/s1
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Article
PubMed
n/an/an/an/a 199n/an/an/an/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