Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM50330063'   

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))	BDBM50330063 (1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c...) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue-7 cells assessed as increase in NFkappaB activation by sAP assay				Bioorg Med Chem Lett 20: 6384-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.093 BindingDB Entry DOI: 10.7270/Q2C53M3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50330063 (1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c...) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	528	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 transfected in HEK reporter cells assessed as NFkappaB induction by specific secreted alkaline phosphatease gene assay				Bioorg Med Chem Lett 21: 3232-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.050 BindingDB Entry DOI: 10.7270/Q2MG7PTQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50330063 (1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c...) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50330063 (1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c...) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
TBA					Assay Description Plasmacytoid dendritic cell (pDC)—enriched peripheral blood mononuclear cells (PBMCs) were prepared from the blood of a series of human donors (3-5 d...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50330063 (1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c...) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128548 BindingDB Entry DOI: 10.7270/Q2KH0SB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50330063 (1-(4-(Aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c...) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
TBA					Assay Description Plasmacytoid dendritic cell (pDC)—enriched peripheral blood mononuclear cells (PBMCs) were prepared from the blood of a series of human donors (3-5 d...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CQ6
					More data for this Ligand-Target Pair				3D Structure (crystal)