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BDBM50027855 CHEMBL3338699

SMILES: CCCCCCCCCCCCCCCC(=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(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=VVFRLDTXTXATET-GHRIWGSUSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027855   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Apelin receptor


(Homo sapiens (Human))		BDBM50027855
PNG
(CHEMBL3338699)
Show SMILES CCCCCCCCCCCCCCCC(=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(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C92H142N18O21/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-73(116)106-75(53(6)7)87(127)109-78(57(11)113)90(130)105-71(45-52(4)5)91(131)110-43-28-32-72(110)86(126)102-67(44-51(2)3)83(123)101-70(48-60-50-97-64-30-26-25-29-63(60)64)82(122)98-54(8)80(120)107-76(55(9)111)88(128)104-69(47-59-36-40-62(115)41-37-59)85(125)108-77(56(10)112)89(129)103-68(46-58-34-38-61(114)39-35-58)84(124)99-65(31-27-42-96-92(94)95)81(121)100-66(79(93)119)49-74(117)118/h25-26,29-30,34-41,50-57,65-72,75-78,97,111-115H,12-24,27-28,31-33,42-49H2,1-11H3,(H2,93,119)(H,98,122)(H,99,124)(H,100,121)(H,101,123)(H,102,126)(H,103,129)(H,104,128)(H,105,130)(H,106,116)(H,107,120)(H,108,125)(H,109,127)(H,117,118)(H4,94,95,96)/t54-,55+,56+,57+,65-,66-,67-,68-,69-,70-,71-,72-,75-,76-,77-,78-/m0/s1
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Article
PubMed
n/an/an/an/a 226n/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