Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 8' and Ligand = 'BDBM50440284'   

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 8 (Homo sapiens (Human))	BDBM50440284 (CHEMBL2424780 | US10457681, Compound Vesatolimod |...) Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Agonist activity at human TLR8 expressed in HEK293 cells by reporter based assay				J Med Chem 56: 7324-33 (2013) Article DOI: 10.1021/jm400815m BindingDB Entry DOI: 10.7270/Q2X068GV
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50440284 (CHEMBL2424780 | US10457681, Compound Vesatolimod |...) Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem		n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50440284 (CHEMBL2424780 | US10457681, Compound Vesatolimod |...) Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a
TBA					Assay Description A stable HEK-Blue-hTLR8 cell line was purchased from InvivoGen (Cat. #: HEK-Blue-htlr8, San Diego, Calif., USA). These cells were designed for studyi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HXT
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50440284 (CHEMBL2424780 | US10457681, Compound Vesatolimod |...) Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. US Patent					Assay Description The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...				US Patent US10654856 (2020) BindingDB Entry DOI: 10.7270/Q2SB48RW
					More data for this Ligand-Target Pair