Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 9' and Ligand = 'BDBM50560349'   

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 9 (Mus musculus)	BDBM50560349 (CHEMBL4782200) Show SMILES Cn1nc(-c2ccc(OC[C@@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,13.13,(62.57,-3.9,;62.1,-5.36,;63.01,-6.61,;62.11,-7.86,;62.6,-9.32,;61.57,-10.46,;62.05,-11.92,;63.56,-12.24,;64.05,-13.7,;65.56,-14.01,;66.04,-15.47,;65.02,-16.61,;65.5,-18.07,;67.01,-18.38,;67.49,-19.85,;68.03,-17.23,;67.55,-15.77,;64.59,-11.08,;66.1,-11.38,;64.1,-9.62,;60.64,-7.39,;59.3,-8.17,;57.97,-7.4,;57.97,-5.86,;56.64,-5.09,;59.3,-5.09,;60.64,-5.85,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR9 in mouse splenocytes assessed as inhibition of CpG1585-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50560349 (CHEMBL4782200) Show SMILES Cn1nc(-c2ccc(OC[C@@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,13.13,(62.57,-3.9,;62.1,-5.36,;63.01,-6.61,;62.11,-7.86,;62.6,-9.32,;61.57,-10.46,;62.05,-11.92,;63.56,-12.24,;64.05,-13.7,;65.56,-14.01,;66.04,-15.47,;65.02,-16.61,;65.5,-18.07,;67.01,-18.38,;67.49,-19.85,;68.03,-17.23,;67.55,-15.77,;64.59,-11.08,;66.1,-11.38,;64.1,-9.62,;60.64,-7.39,;59.3,-8.17,;57.97,-7.4,;57.97,-5.86,;56.64,-5.09,;59.3,-5.09,;60.64,-5.85,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR9 in human PBMC assessed as inhibition of ODN2216-induced IFNalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair