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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 = 'BDBM50358558'   
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))		BDBM50358558
PNG
(CHEMBL1923557)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](C[Se]C[C@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C42H80N2O8Se/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(46)51-33-36(34-53-35-37(43)41(48)44-38(32-45)42(49)50-3)52-40(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,45H,4-35,43H2,1-3H3,(H,44,48)/t36-,37+,38+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.260n/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