Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 9' and Ligand = 'BDBM50543137'   

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 (Homo sapiens (Human))	BDBM50543137 (CHEMBL4634860) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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
Toll-like receptor 9 (Mus musculus)	BDBM50543137 (CHEMBL4634860) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)	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