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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 = 'BDBM50461183'   
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))		BDBM50461183
PNG
(CHEMBL4226518)
Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCNC(=O)CC)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C64H123N11O13S/c1-3-5-6-7-8-9-10-11-12-14-18-21-24-39-58(79)88-49(46-87-57(78)38-23-20-17-15-13-16-19-22-33-44-70-56(77)4-2)47-89-48-50(69)59(80)75-55(45-76)63(84)73-52(35-26-30-41-66)61(82)71-51(34-25-29-40-65)60(81)72-53(36-27-31-42-67)62(83)74-54(64(85)86)37-28-32-43-68/h49-55,76H,3-48,65-69H2,1-2H3,(H,70,77)(H,71,82)(H,72,81)(H,73,84)(H,74,83)(H,75,80)(H,85,86)/t49-,50+,51+,52+,53+,54+,55+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.94E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of biotin labelled Pam2CSK4 binding to His tagged human TLR2 after 45 mins by AlphaScreen assay

Bioorg Med Chem Lett 28: 1638-1641 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.042
BindingDB Entry DOI: 10.7270/Q2CC139G
More data for this
Ligand-Target Pair