Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 9' and Ligand = 'BDBM50543498'   

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))	BDBM50543498 (CHEMBL4634971) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClFN3/c1-25-10-13-27-11-8-15(9-12-27)16-6-7-20-18(14-16)21(24)22(26-20)17-4-2-3-5-19(17)23/h2-7,14-15,25-26H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated...				ACS Med Chem Lett 11: 1751-1758 (2020) Article DOI: 10.1021/acsmedchemlett.0c00264 BindingDB Entry DOI: 10.7270/Q22N55TH
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