Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 2' and Ligand = 'BDBM50461188'   

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 (Mus musculus)	BDBM50461188 (CHEMBL4226256) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCNC(=O)CCCCCCCCCC |r| Show InChI InChI=1S/C64H123N11O13S/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-38-57(78)87-46-49(88-58(79)39-32-44-70-56(77)37-22-20-18-12-10-8-6-4-2)47-89-48-50(69)59(80)75-55(45-76)63(84)73-52(34-25-29-41-66)61(82)71-51(33-24-28-40-65)60(81)72-53(35-26-30-42-67)62(83)74-54(64(85)86)36-27-31-43-68/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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Inhibition of biotin labelled Pam2CSK4 binding to mouse TLR2 Fc chimera protein 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
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50461188 (CHEMBL4226256) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCNC(=O)CCCCCCCCCC |r| Show InChI InChI=1S/C64H123N11O13S/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-38-57(78)87-46-49(88-58(79)39-32-44-70-56(77)37-22-20-18-12-10-8-6-4-2)47-89-48-50(69)59(80)75-55(45-76)63(84)73-52(34-25-29-41-66)61(82)71-51(33-24-28-40-65)60(81)72-53(35-26-30-42-67)62(83)74-54(64(85)86)36-27-31-43-68/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/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/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