Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM50189181'   

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 7 (Homo sapiens (Human))	BDBM50189181 (CHEMBL3828229 | US9597326, Compound 21) Show SMILES Cc1cc(OCCOCCOCCP(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1 Show InChI InChI=1S/C30H36N3O8P/c1-20-16-24(41-13-12-39-10-11-40-14-15-42(36,37)38)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(34)35)18-27(25)33-30(31)29(26)32-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
Genomics Institute of Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK293 cells incubated for 6 hrs by luciferase reporter gene assay				J Med Chem 59: 5868-78 (2016) Article DOI: 10.1021/acs.jmedchem.6b00489 BindingDB Entry DOI: 10.7270/Q2JH3P4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50189181 (CHEMBL3828229 | US9597326, Compound 21) Show SMILES Cc1cc(OCCOCCOCCP(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1 Show InChI InChI=1S/C30H36N3O8P/c1-20-16-24(41-13-12-39-10-11-40-14-15-42(36,37)38)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(34)35)18-27(25)33-30(31)29(26)32-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	384	n/a	n/a	n/a	n/a
GlaxoSmithKline Biologicals SA; U.S. Army Medical Research and Materiel Command US Patent					Assay Description Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...				US Patent US9597326 (2017) BindingDB Entry DOI: 10.7270/Q2CR5WF3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50189181 (CHEMBL3828229 | US9597326, Compound 21) Show SMILES Cc1cc(OCCOCCOCCP(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1 Show InChI InChI=1S/C30H36N3O8P/c1-20-16-24(41-13-12-39-10-11-40-14-15-42(36,37)38)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(34)35)18-27(25)33-30(31)29(26)32-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Genomics Institute of Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at TLR7 in human PBMC assessed as induction of IL-6 secretion in supernatant after 18 hrs				J Med Chem 59: 5868-78 (2016) Article DOI: 10.1021/acs.jmedchem.6b00489 BindingDB Entry DOI: 10.7270/Q2JH3P4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50189181 (CHEMBL3828229 | US9597326, Compound 21) Show SMILES Cc1cc(OCCOCCOCCP(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1 Show InChI InChI=1S/C30H36N3O8P/c1-20-16-24(41-13-12-39-10-11-40-14-15-42(36,37)38)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(34)35)18-27(25)33-30(31)29(26)32-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Genomics Institute of Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs				J Med Chem 59: 5868-78 (2016) Article DOI: 10.1021/acs.jmedchem.6b00489 BindingDB Entry DOI: 10.7270/Q2JH3P4Z
					More data for this Ligand-Target Pair