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BDBM50358538 CHEMBL1923537

SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

InChI Key: InChIKey=ZIJJQGPQSLTPOR-JXCIPMFESA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358538   
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
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))		BDBM50358538
PNG
(CHEMBL1923537)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |r|
Show InChI InChI=1S/C47H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-38-42(39-57-40-43(48)47(53)49-37-46(52)55-41(3)4)56-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40,48H2,1-4H3,(H,49,53)/b15-13-,16-14-,21-19-,22-20-/t42-,43+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectr...

J Med Chem 54: 8148-60 (2011)


Article DOI: 10.1021/jm201071e
BindingDB Entry DOI: 10.7270/Q2KP82K8
More data for this
Ligand-Target Pair