Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50000513   

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))	BDBM50252308 (CHEMBL4065452) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1 Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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))	BDBM50252307 (CHEMBL4082132) Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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 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)	PDB 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)	PDB 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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252307 (CHEMBL4082132) Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3	PDB 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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252307 (CHEMBL4082132) Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3	PDB 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 9 (Homo sapiens (Human))	BDBM50252308 (CHEMBL4065452) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1 Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 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)	PDB 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 9 (Homo sapiens (Human))	BDBM50252308 (CHEMBL4065452) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1 Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252325 (CHEMBL4071152) Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CCC(N)C4)cc3o2)C1 Show InChI InChI=1S/C27H37N5O3/c28-21-9-13-31(18-21)11-1-15-33-23-5-3-20(4-6-23)27-30-25-8-7-24(17-26(25)35-27)34-16-2-12-32-14-10-22(29)19-32/h3-8,17,21-22H,1-2,9-16,18-19,28-29H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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 9 (Homo sapiens (Human))	BDBM50252273 (CHEMBL4100834) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCCC3)cc2o1)CN1CCCCC1 Show InChI InChI=1S/C29H39N3O3/c1-3-15-31(16-4-1)19-7-21-33-25-11-9-24(10-12-25)29-30-27-14-13-26(23-28(27)35-29)34-22-8-20-32-17-5-2-6-18-32/h9-14,23H,1-8,15-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	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 9 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	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))	BDBM50252324 (CHEMBL4100138) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCN(Cc3ccccc3)CC2)c1)CN1CCCC1 Show InChI InChI=1S/C32H38N4O2/c1-2-8-25(9-3-1)24-36-19-14-27(15-20-36)33-28-11-6-10-26(22-28)32-34-30-13-12-29(23-31(30)38-32)37-21-7-18-35-16-4-5-17-35/h1-3,6,8-13,22-23,27,33H,4-5,7,14-21,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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 9 (Homo sapiens (Human))	BDBM50252324 (CHEMBL4100138) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCN(Cc3ccccc3)CC2)c1)CN1CCCC1 Show InChI InChI=1S/C32H38N4O2/c1-2-8-25(9-3-1)24-36-19-14-27(15-20-36)33-28-11-6-10-26(22-28)32-34-30-13-12-29(23-31(30)38-32)37-21-7-18-35-16-4-5-17-35/h1-3,6,8-13,22-23,27,33H,4-5,7,14-21,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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 9 (Homo sapiens (Human))	BDBM50252324 (CHEMBL4100138) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCN(Cc3ccccc3)CC2)c1)CN1CCCC1 Show InChI InChI=1S/C32H38N4O2/c1-2-8-25(9-3-1)24-36-19-14-27(15-20-36)33-28-11-6-10-26(22-28)32-34-30-13-12-29(23-31(30)38-32)37-21-7-18-35-16-4-5-17-35/h1-3,6,8-13,22-23,27,33H,4-5,7,14-21,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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))	BDBM50252292 (CHEMBL4067391) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1CCNCC1)CN1CCCC1 Show InChI InChI=1S/C25H31N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-8,17-19,26H,1-2,4,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	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 9 (Homo sapiens (Human))	BDBM50252306 (CHEMBL4088644) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCNCC2)c1)CN1CCCC1 Show InChI InChI=1S/C25H32N4O2/c1-2-14-29(13-1)15-4-16-30-22-7-8-23-24(18-22)31-25(28-23)19-5-3-6-21(17-19)27-20-9-11-26-12-10-20/h3,5-8,17-18,20,26-27H,1-2,4,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	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 9 (Homo sapiens (Human))	BDBM50252290 (CHEMBL4084216) Show SMILES NCc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H30N4O3/c29-19-20-7-9-21(10-8-20)27(33)30-23-6-3-5-22(17-23)28-31-25-12-11-24(18-26(25)35-28)34-16-4-15-32-13-1-2-14-32/h3,5-12,17-18H,1-2,4,13-16,19,29H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	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 9 (Homo sapiens (Human))	BDBM50252285 (CHEMBL4088775) Show SMILES C(COc1ccc2nc(oc2c1)-c1ccccc1)CN1CCCC1 Show InChI InChI=1S/C20H22N2O2/c1-2-7-16(8-3-1)20-21-18-10-9-17(15-19(18)24-20)23-14-6-13-22-11-4-5-12-22/h1-3,7-10,15H,4-6,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	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 9 (Homo sapiens (Human))	BDBM50252286 (CHEMBL4081700) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)16-6-4-15(5-7-16)20-25-18-9-8-17(14-19(18)28-20)27-13-3-12-26-10-1-2-11-26/h4-9,14H,1-3,10-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 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))	BDBM50252308 (CHEMBL4065452) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1 Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+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))	BDBM50252326 (CHEMBL4060540) Show SMILES C(COc1ccc2nc(oc2c1)-c1ccccc1)Cn1ccnc1 Show InChI InChI=1S/C19H17N3O2/c1-2-5-15(6-3-1)19-21-17-8-7-16(13-18(17)24-19)23-12-4-10-22-11-9-20-14-22/h1-3,5-9,11,13-14H,4,10,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+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 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 9 (Homo sapiens (Human))	BDBM50252288 (CHEMBL4091970) Show SMILES O=C(Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c31-26(20-8-2-1-3-9-20)28-22-11-6-10-21(18-22)27-29-24-13-12-23(19-25(24)33-27)32-17-7-16-30-14-4-5-15-30/h1-3,6,8-13,18-19H,4-5,7,14-17H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+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 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))	BDBM50252307 (CHEMBL4082132) Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+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 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 7 (Homo sapiens (Human))	BDBM50252292 (CHEMBL4067391) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1CCNCC1)CN1CCCC1 Show InChI InChI=1S/C25H31N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-8,17-19,26H,1-2,4,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.99E+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))	BDBM50252287 (CHEMBL4099716) Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCn3ccnc3)cc2o1)Cn1ccnc1 Show InChI InChI=1S/C25H25N5O3/c1(11-29-13-9-26-18-29)15-31-21-5-3-20(4-6-21)25-28-23-8-7-22(17-24(23)33-25)32-16-2-12-30-14-10-27-19-30/h3-10,13-14,17-19H,1-2,11-12,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+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 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 9 (Homo sapiens (Human))	BDBM50252284 (CHEMBL4074072) Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCCC1 Show InChI InChI=1S/C20H22N2O2/c1-2-7-19-18(6-1)21-20(24-19)16-8-10-17(11-9-16)23-15-5-14-22-12-3-4-13-22/h1-2,6-11H,3-5,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+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 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))	BDBM50252306 (CHEMBL4088644) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCNCC2)c1)CN1CCCC1 Show InChI InChI=1S/C25H32N4O2/c1-2-14-29(13-1)15-4-16-30-22-7-8-23-24(18-22)31-25(28-23)19-5-3-6-21(17-19)27-20-9-11-26-12-10-20/h3,5-8,17-18,20,26-27H,1-2,4,9-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.55E+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 7 (Homo sapiens (Human))	BDBM50252324 (CHEMBL4100138) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCN(Cc3ccccc3)CC2)c1)CN1CCCC1 Show InChI InChI=1S/C32H38N4O2/c1-2-8-25(9-3-1)24-36-19-14-27(15-20-36)33-28-11-6-10-26(22-28)32-34-30-13-12-29(23-31(30)38-32)37-21-7-18-35-16-4-5-17-35/h1-3,6,8-13,22-23,27,33H,4-5,7,14-21,24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.09E+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 7 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+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 7 (Homo sapiens (Human))	BDBM50252325 (CHEMBL4071152) Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CCC(N)C4)cc3o2)C1 Show InChI InChI=1S/C27H37N5O3/c28-21-9-13-31(18-21)11-1-15-33-23-5-3-20(4-6-23)27-30-25-8-7-24(17-26(25)35-27)34-16-2-12-32-14-10-22(29)19-32/h3-8,17,21-22H,1-2,9-16,18-19,28-29H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	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))	BDBM50252289 (CHEMBL4062511) Show SMILES Nc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C27H28N4O3/c28-21-9-7-19(8-10-21)26(32)29-22-6-3-5-20(17-22)27-30-24-12-11-23(18-25(24)34-27)33-16-4-15-31-13-1-2-14-31/h3,5-12,17-18H,1-2,4,13-16,28H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	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))	BDBM50252290 (CHEMBL4084216) Show SMILES NCc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1 Show InChI InChI=1S/C28H30N4O3/c29-19-20-7-9-21(10-8-20)27(33)30-23-6-3-5-22(17-23)28-31-25-12-11-24(18-26(25)35-28)34-16-4-15-32-13-1-2-14-32/h3,5-12,17-18H,1-2,4,13-16,19,29H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.62E+4	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