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BDBM50027847 CHEMBL3338682

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

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027847   
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))		BDBM50027847
PNG
(CHEMBL3338682)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](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/C85H131N17O18/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-32-68(108)98-69(49(4)5)80(116)101-70(52(8)103)81(117)92-51(7)84(120)102-42-27-31-67(102)79(115)95-63(43-48(2)3)76(112)94-66(46-57-47-90-61-29-25-24-28-60(57)61)75(111)91-50(6)74(110)99-71(53(9)104)82(118)97-65(45-56-35-39-59(107)40-36-56)78(114)100-72(54(10)105)83(119)96-64(44-55-33-37-58(106)38-34-55)77(113)93-62(73(86)109)30-26-41-89-85(87)88/h24-25,28-29,33-40,47-54,62-67,69-72,90,103-107H,11-23,26-27,30-32,41-46H2,1-10H3,(H2,86,109)(H,91,111)(H,92,117)(H,93,113)(H,94,112)(H,95,115)(H,96,119)(H,97,118)(H,98,108)(H,99,110)(H,100,114)(H,101,116)(H4,87,88,89)/t50-,51-,52+,53+,54+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-/m0/s1
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Article
PubMed
n/an/an/an/a>3.00E+4n/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