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BDBM50027848 CHEMBL3338681

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

InChI Key: InChIKey=GKVJDQVNNBTPCX-XVQVLRNYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027848   
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))		BDBM50027848
PNG
(CHEMBL3338681)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)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/C87H135N17O17/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(109)101-72(52(6)7)83(118)94-53(8)76(111)100-69(45-51(4)5)86(121)104-43-28-32-70(104)82(117)97-65(44-50(2)3)79(114)96-68(48-59-49-92-63-30-26-25-29-62(59)63)78(113)93-54(9)77(112)102-73(55(10)105)84(119)99-67(47-58-36-40-61(108)41-37-58)81(116)103-74(56(11)106)85(120)98-66(46-57-34-38-60(107)39-35-57)80(115)95-64(75(88)110)31-27-42-91-87(89)90/h25-26,29-30,34-41,49-56,64-70,72-74,92,105-108H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,88,110)(H,93,113)(H,94,118)(H,95,115)(H,96,114)(H,97,117)(H,98,120)(H,99,119)(H,100,111)(H,101,109)(H,102,112)(H,103,116)(H4,89,90,91)/t53-,54-,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-/m0/s1
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Article
PubMed
n/an/an/an/a 41n/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