Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' and Ligand = 'BDBM50386538'   

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))	BDBM50386538 (CHEMBL2048076 | US9676818, 11e) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)CCC)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C29H54N2O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-27(34)38-20-21-39-23-25(30-26(33)18-5-2)28(35)31-24(22-32)29(36)37-3/h24-25,32H,4-23H2,1-3H3,(H,30,33)(H,31,35)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...				US Patent US9676818 (2017) BindingDB Entry DOI: 10.7270/Q2TB1539
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50386538 (CHEMBL2048076 | US9676818, 11e) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)CCC)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C29H54N2O7S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-27(34)38-20-21-39-23-25(30-26(33)18-5-2)28(35)31-24(22-32)29(36)37-3/h24-25,32H,4-23H2,1-3H3,(H,30,33)(H,31,35)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.64	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 NFkappaB translocation after 12 hrs by secretory alkaline phosphatase reporter g...				J Med Chem 55: 3353-63 (2012) Article DOI: 10.1021/jm3000533 BindingDB Entry DOI: 10.7270/Q2JD4XT5
					More data for this Ligand-Target Pair