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SMILES: CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1

InChI Key: InChIKey=MYKNCJPLMJTHDR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50252309   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50252309 (CHEMBL4100657) Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibition of CL264-induced NF-kappaB activation after 24 hrs by spectrophoto...				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252309 (CHEMBL4100657) Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at TLR9 in human plasmacytoid dendritic cells assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50252309 (CHEMBL4100657) Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252309 (CHEMBL4100657) Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibition of CpGB-induced NF-kappaB activation after 24 hrs by spectrophotom...				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252309 (CHEMBL4100657) Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair