Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'balakrishna' and Initial = 'r'   

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))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-TNF-alpha release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-1beta release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-8 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CCL2 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-8 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-6 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-6 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced TNF-alpha release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-1beta release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CCL2 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CXCL10 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CXCL10 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380495 (CHEMBL2018887) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C50H56N10O2/c1-3-5-17-41-57-45-47(37-13-7-9-15-39(37)55-49(45)51)59(41)31-35-25-21-33(22-26-35)29-53-43(61)19-11-12-20-44(62)54-30-34-23-27-36(28-24-34)32-60-42(18-6-4-2)58-46-48(60)38-14-8-10-16-40(38)56-50(46)52/h7-10,13-16,21-28H,3-6,11-12,17-20,29-32H2,1-2H3,(H2,51,55)(H2,52,56)(H,53,61)(H,54,62)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380497 (CHEMBL2018897) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50195806 (CHEMBL384590 | N-(3-(4-(3-aminopropylamino)butylam...) Show SMILES CCCCCCCCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C26H58N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-33(31,32)30-25-19-24-29-22-16-15-21-28-23-18-20-27/h28-30H,2-27H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
MediQuest Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of NFkappaB in human HEK293 cells				Bioorg Med Chem Lett 16: 6209-12 (2006) Article DOI: 10.1016/j.bmcl.2006.09.026 BindingDB Entry DOI: 10.7270/Q2X34X4H
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380496 (CHEMBL2018896) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C52H60N10O2/c1-3-5-19-43-59-47-49(39-15-11-13-17-41(39)57-51(47)53)61(43)33-37-27-23-35(24-28-37)31-55-45(63)21-9-7-8-10-22-46(64)56-32-36-25-29-38(30-26-36)34-62-44(20-6-4-2)60-48-50(62)40-16-12-14-18-42(40)58-52(48)54/h11-18,23-30H,3-10,19-22,31-34H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50195808 (CHEMBL218163 | N-(3-(4-(3-aminopropylamino)butylam...) Show SMILES CCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C20H46N4O2S/c1-2-3-4-5-6-7-8-11-20-27(25,26)24-19-13-18-23-16-10-9-15-22-17-12-14-21/h22-24H,2-21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
MediQuest Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of NFkappaB in human HEK293 cells				Bioorg Med Chem Lett 16: 6209-12 (2006) Article DOI: 10.1016/j.bmcl.2006.09.026 BindingDB Entry DOI: 10.7270/Q2X34X4H
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50195809 (CHEMBL218434 | N-(3-(4-(3-aminopropylamino)butylam...) Show SMILES CCCCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C22H50N4O2S/c1-2-3-4-5-6-7-8-9-10-13-22-29(27,28)26-21-15-20-25-18-12-11-17-24-19-14-16-23/h24-26H,2-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
MediQuest Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of NFkappaB in human HEK293 cells				Bioorg Med Chem Lett 16: 6209-12 (2006) Article DOI: 10.1016/j.bmcl.2006.09.026 BindingDB Entry DOI: 10.7270/Q2X34X4H
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380499 (CHEMBL2018899) Show SMILES CCCCc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H26N6/c1-2-3-4-19-27-20-21(17-11-16(24)9-10-18(17)26-22(20)25)28(19)13-15-7-5-14(12-23)6-8-15/h5-11H,2-4,12-13,23-24H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380498 (CHEMBL2018898) Show SMILES CCCCc1nc2c(N)nc3ccc(cc3c2n1Cc1ccc(CN)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H24N6O2/c1-2-3-4-19-26-20-21(27(19)13-15-7-5-14(12-23)6-8-15)17-11-16(28(29)30)9-10-18(17)25-22(20)24/h5-11H,2-4,12-13,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380491 (CHEMBL2018893) Show SMILES CCCCc1nc2c(NCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C50H58N8/c1-3-5-31-43-55-45-47(57(43)35-37-23-13-11-14-24-37)39-27-17-19-29-41(39)53-49(45)51-33-21-9-7-8-10-22-34-52-50-46-48(40-28-18-20-30-42(40)54-50)58(44(56-46)32-6-4-2)36-38-25-15-12-16-26-38/h11-20,23-30H,3-10,21-22,31-36H2,1-2H3,(H,51,53)(H,52,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410807 (POLUMYXIN B | POLYMIXIN B | POLYMYXIN B) Show SMILES CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O Show InChI InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380494 (CHEMBL2018895) Show SMILES CCCCc1nc2c(NCCCCCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C54H66N8/c1-3-5-35-47-59-49-51(61(47)39-41-27-17-15-18-28-41)43-31-21-23-33-45(43)57-53(49)55-37-25-13-11-9-7-8-10-12-14-26-38-56-54-50-52(44-32-22-24-34-46(44)58-54)62(48(60-50)36-6-4-2)40-42-29-19-16-20-30-42/h15-24,27-34H,3-14,25-26,35-40H2,1-2H3,(H,55,57)(H,56,58)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380490 (CHEMBL2018892) Show SMILES CCCCc1nc2c(NCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C46H50N8/c1-3-5-27-39-51-41-43(53(39)31-33-19-9-7-10-20-33)35-23-13-15-25-37(35)49-45(41)47-29-17-18-30-48-46-42-44(36-24-14-16-26-38(36)50-46)54(40(52-42)28-6-4-2)32-34-21-11-8-12-22-34/h7-16,19-26H,3-6,17-18,27-32H2,1-2H3,(H,47,49)(H,48,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50195807 (CHEMBL218282 | N-(3-(4-(3-aminopropylamino)butylam...) Show SMILES CCCCCCCCCCCCCCCCCCS(=O)(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C28H62N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-35(33,34)32-27-21-26-31-24-18-17-23-30-25-20-22-29/h30-32H,2-29H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
MediQuest Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of NFkappaB in human HEK293 cells				Bioorg Med Chem Lett 16: 6209-12 (2006) Article DOI: 10.1016/j.bmcl.2006.09.026 BindingDB Entry DOI: 10.7270/Q2X34X4H
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380493 (CHEMBL2018894) Show SMILES CCCCc1nc2c(NCCCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C52H62N8/c1-3-5-33-45-57-47-49(59(45)37-39-25-15-13-16-26-39)41-29-19-21-31-43(41)55-51(47)53-35-23-11-9-7-8-10-12-24-36-54-52-48-50(42-30-20-22-32-44(42)56-52)60(46(58-48)34-6-4-2)38-40-27-17-14-18-28-40/h13-22,25-32H,3-12,23-24,33-38H2,1-2H3,(H,53,55)(H,54,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB activation by sAP reporter gene ...				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380501 (CHEMBL2018901) Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C52H62N12O2/c1-3-5-11-43-61-47-49(63(43)31-35-19-15-33(29-53)16-20-35)39-27-37(23-25-41(39)59-51(47)55)57-45(65)13-9-7-8-10-14-46(66)58-38-24-26-42-40(28-38)50-48(52(56)60-42)62-44(12-6-4-2)64(50)32-36-21-17-34(30-54)18-22-36/h15-28H,3-14,29-32,53-54H2,1-2H3,(H2,55,59)(H2,56,60)(H,57,65)(H,58,66)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410808 (CHEMBL535384) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |w:11.10,20.19| Show InChI InChI=1S/C26H46N8O2/c1-3-5-7-9-11-13-17-35-23-21(19-31-33-25(27)28)15-16-22(20-32-34-26(29)30)24(23)36-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3,(H4,27,28,33)(H4,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380504 (CHEMBL2018891) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380497 (CHEMBL2018897) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR8 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380502 (CHEMBL2018902) Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C56H70N12O2/c1-3-5-15-47-65-51-53(67(47)35-39-23-19-37(33-57)20-24-39)43-31-41(27-29-45(43)63-55(51)59)61-49(69)17-13-11-9-7-8-10-12-14-18-50(70)62-42-28-30-46-44(32-42)54-52(56(60)64-46)66-48(16-6-4-2)68(54)36-40-25-21-38(34-58)22-26-40/h19-32H,3-18,33-36,57-58H2,1-2H3,(H2,59,63)(H2,60,64)(H,61,69)(H,62,70)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410816 (CHEMBL537642) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |w:9.8,18.17| Show InChI InChI=1S/C22H38N8O2/c1-3-5-7-9-13-31-19-17(15-27-29-21(23)24)11-12-18(16-28-30-22(25)26)20(19)32-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14H2,1-2H3,(H4,23,24,29)(H4,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380500 (CHEMBL2018900) Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C50H58N12O2/c1-3-5-9-41-59-45-47(61(41)29-33-17-13-31(27-51)14-18-33)37-25-35(21-23-39(37)57-49(45)53)55-43(63)11-7-8-12-44(64)56-36-22-24-40-38(26-36)48-46(50(54)58-40)60-42(10-6-4-2)62(48)30-34-19-15-32(28-52)16-20-34/h13-26H,3-12,27-30,51-52H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	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 cells assessed as increase in NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410810 (CHEMBL537865) Show SMILES [#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6] |w:7.6,16.15| Show InChI InChI=1S/C18H30N8O2/c1-3-5-9-27-15-13(11-23-25-17(19)20)7-8-14(12-24-26-18(21)22)16(15)28-10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H4,19,20,25)(H4,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410814 (CHEMBL537866) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6] |w:8.7,17.16| Show InChI InChI=1S/C20H34N8O2/c1-3-5-7-11-29-17-15(13-25-27-19(21)22)9-10-16(14-26-28-20(23)24)18(17)30-12-8-6-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H4,21,22,27)(H4,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380492 (CHEMBL2018890) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C40H38N8/c41-39-35-37(29-19-11-13-21-31(29)43-39)47(25-27-15-5-3-6-16-27)33(45-35)23-9-1-2-10-24-34-46-36-38(48(34)26-28-17-7-4-8-18-28)30-20-12-14-22-32(30)44-40(36)42/h3-8,11-22H,1-2,9-10,23-26H2,(H2,41,43)(H2,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380503 (CHEMBL2018889) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C38H34N8/c39-37-33-35(27-17-7-9-19-29(27)41-37)45(23-25-13-3-1-4-14-25)31(43-33)21-11-12-22-32-44-34-36(46(32)24-26-15-5-2-6-16-26)28-18-8-10-20-30(28)42-38(34)40/h1-10,13-20H,11-12,21-24H2,(H2,39,41)(H2,40,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380504 (CHEMBL2018891) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB activation by sAP reporter gene ...				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410812 (CHEMBL534488) Show SMILES [#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6] |w:6.5,15.14| Show InChI InChI=1S/C16H26N8O2/c1-3-7-25-13-11(9-21-23-15(17)18)5-6-12(10-22-24-16(19)20)14(13)26-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H4,17,18,23)(H4,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410806 (CHEMBL538329) Show SMILES [#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6] |w:5.4,14.13| Show InChI InChI=1S/C14H22N8O2/c1-3-23-11-9(7-19-21-13(15)16)5-6-10(12(11)24-4-2)8-20-22-14(17)18/h5-8H,3-4H2,1-2H3,(H4,15,16,21)(H4,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410815 (CHEMBL535159) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8])c1-[#8] |w:10.9,5.5| Show InChI InChI=1S/C10H14N8O2/c11-9(12)17-15-3-5-1-2-6(8(20)7(5)19)4-16-18-10(13)14/h1-4,19-20H,(H4,11,12,17)(H4,13,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410813 (CHEMBL537645) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6]-[#6]=[#6])c1-[#8]-[#6]-[#6]=[#6] |w:10.9,5.5| Show InChI InChI=1S/C16H22N8O2/c1-3-7-25-13-11(9-21-23-15(17)18)5-6-12(10-22-24-16(19)20)14(13)26-8-4-2/h3-6,9-10H,1-2,7-8H2,(H4,17,18,23)(H4,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410811 (CHEMBL534939) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:10.9,5.5| Show InChI InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410809 (CHEMBL534490) Show SMILES [#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6] |w:4.3,13.12| Show InChI InChI=1S/C12H18N8O2/c1-21-9-7(5-17-19-11(13)14)3-4-8(10(9)22-2)6-18-20-12(15)16/h3-6H,1-2H3,(H4,13,14,19)(H4,15,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50410817 (CHEMBL540367) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |w:17.16,26.25| Show InChI InChI=1S/C38H70N8O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-47-35-33(31-43-45-37(39)40)27-28-34(32-44-46-38(41)42)36(35)48-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26,29-30H2,1-2H3,(H4,39,40,45)(H4,41,42,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2				Bioorg Med Chem Lett 16: 1305-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.059 BindingDB Entry DOI: 10.7270/Q2SN0B64
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50240849 (1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-ami...) Show SMILES CC(C)Cn1cnc2c(N)nc3ccccc3c12 Show InChI InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in NFkappaB-stimulated HEK293 cells assessed as induction of secreted alkaline phosphatase expression by rep...				J Med Chem 53: 4450-65 (2010) Article DOI: 10.1021/jm100358c BindingDB Entry DOI: 10.7270/Q2Q52PS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320066 (1-(4-Amino-2-((diethylamino)methyl)-1H-imidazo[4,5...) Show SMILES CCN(CC)Cc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C19H27N5O/c1-5-23(6-2)11-15-22-16-17(24(15)12-19(3,4)25)13-9-7-8-10-14(13)21-18(16)20/h7-10,25H,5-6,11-12H2,1-4H3,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.71E+3	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in NFkappaB-stimulated HEK293 cells assessed as induction of secreted alkaline phosphatase expression by rep...				J Med Chem 53: 4450-65 (2010) Article DOI: 10.1021/jm100358c BindingDB Entry DOI: 10.7270/Q2Q52PS6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in NFkappaB-stimulated HEK293 cells assessed as induction of secreted alkaline phosphatase expression by rep...				J Med Chem 53: 4450-65 (2010) Article DOI: 10.1021/jm100358c BindingDB Entry DOI: 10.7270/Q2Q52PS6
					More data for this Ligand-Target Pair				3D Structure (crystal)

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