Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' and Ligand = 'BDBM50358547'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50358547 (CHEMBL1923546) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCNCCCCNCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C37H74N6O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34(45)51-31(29-52-30-32(39)36(47)43-33(27-44)37(48)49)28-50-35(46)26-42-25-18-24-41-22-16-15-21-40-23-17-20-38/h31-33,40-42,44H,2-30,38-39H2,1H3,(H,43,47)(H,48,49)/t31-,32+,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.23	n/a	n/a	n/a	n/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
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