BindingDB logo
myBDB logout

BDBM50027868 CHEMBL3338698

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

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027868   
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))		BDBM50027868
PNG
(CHEMBL3338698)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=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/C106H162N20O22/c1-15-16-17-18-19-20-21-22-23-24-25-26-30-41-84(133)120-87(64(11)127)101(144)117-79(54-68-35-28-27-29-36-68)96(139)121-85(61(6)7)99(142)122-86(62(8)9)100(143)125-90(67(14)130)104(147)119-82(53-60(4)5)105(148)126-51-34-40-83(126)98(141)115-77(52-59(2)3)94(137)114-81(57-71-58-111-75-38-32-31-37-74(71)75)93(136)112-63(10)92(135)123-88(65(12)128)102(145)118-80(56-70-44-48-73(132)49-45-70)97(140)124-89(66(13)129)103(146)116-78(55-69-42-46-72(131)47-43-69)95(138)113-76(91(107)134)39-33-50-110-106(108)109/h27-29,31-32,35-38,42-49,58-67,76-83,85-90,111,127-132H,15-26,30,33-34,39-41,50-57H2,1-14H3,(H2,107,134)(H,112,136)(H,113,138)(H,114,137)(H,115,141)(H,116,146)(H,117,144)(H,118,145)(H,119,147)(H,120,133)(H,121,139)(H,122,142)(H,123,135)(H,124,140)(H,125,143)(H4,108,109,110)/t63-,64+,65+,66+,67+,76-,77-,78-,79-,80-,81-,82-,83-,85-,86-,87-,88-,89-,90-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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