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BDBM50027892 CHEMBL3337468

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=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

InChI Key: InChIKey=LSVZNWWEUBMION-DLFROEDYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027892   
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))		BDBM50027892
PNG
(CHEMBL3337468)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=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/C102H155N19O20/c1-14-15-16-17-18-19-20-21-22-23-24-25-29-40-82(127)109-76(53-66-34-27-26-28-35-66)93(133)116-83(60(6)7)96(136)117-84(61(8)9)97(137)120-87(65(13)124)100(140)115-80(52-59(4)5)101(141)121-50-33-39-81(121)95(135)112-75(51-58(2)3)91(131)111-79(56-69-57-107-73-37-31-30-36-72(69)73)90(130)108-62(10)89(129)118-85(63(11)122)98(138)114-78(55-68-43-47-71(126)48-44-68)94(134)119-86(64(12)123)99(139)113-77(54-67-41-45-70(125)46-42-67)92(132)110-74(88(103)128)38-32-49-106-102(104)105/h26-28,30-31,34-37,41-48,57-65,74-81,83-87,107,122-126H,14-25,29,32-33,38-40,49-56H2,1-13H3,(H2,103,128)(H,108,130)(H,109,127)(H,110,132)(H,111,131)(H,112,135)(H,113,139)(H,114,138)(H,115,140)(H,116,133)(H,117,136)(H,118,129)(H,119,134)(H,120,137)(H4,104,105,106)/t62-,63+,64+,65+,74-,75-,76-,77-,78-,79-,80-,81-,83-,84-,85-,86-,87-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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Similars
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