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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' and Ligand = 'BDBM50358543'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50358543
PNG
(CHEMBL1923542)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C45H86N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(49)54-36-39(37-56-38-40(46)44(51)47-41(35-48)45(52)53)55-43(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-41,48H,3-38,46H2,1-2H3,(H,47,51)(H,52,53)/t39-,40+,41+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.47n/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