Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'junt' and Initial = 't'   

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))	BDBM50586261 (CHEMBL5078689) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586259 (CHEMBL5090067) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586260 (CHEMBL5079910) Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586260 (CHEMBL5079910) Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586259 (CHEMBL5090067) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followe...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human whole blood assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins follow...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586256 (CHEMBL5085458) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50543137 (CHEMBL4634860) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543137 (CHEMBL4634860) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586258 (CHEMBL5085289) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(C)cc12)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50560358 (CHEMBL4790219) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1nn(C)c2nc(N)ncc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50560355 (CHEMBL4740968) Show SMILES Cc1cc(cnc1OCC12CCC(O)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50560359 (CHEMBL4762866) Show SMILES Cc1cc(-c2cnc(OCC34CCC(N)(CC3)CC4)c(C)c2)c2cnn(C)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50560358 (CHEMBL4790219) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1nn(C)c2nc(N)ncc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543163 (CHEMBL4642652) Show SMILES F[C@@H]1CNCC[C@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586253 (CHEMBL5077018) Show SMILES COc1cc2c(n[nH]c2cc1-c1cc(C)nc(C)c1)C(=O)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586256 (CHEMBL5085458) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586255 (CHEMBL5077828) Show SMILES COc1cc2c(n[nH]c2cc1-c1ccnc(C)c1F)C(=O)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586258 (CHEMBL5085289) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(C)cc12)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586249 (CHEMBL5080083) Show SMILES COc1cc2cc[nH]c2cc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50560359 (CHEMBL4762866) Show SMILES Cc1cc(-c2cnc(OCC34CCC(N)(CC3)CC4)c(C)c2)c2cnn(C)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followe...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human whole blood assessed as inhibition of R848-induced TNFalpha production preincubated for 30 mins followed by R848...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586260 (CHEMBL5079910) Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586253 (CHEMBL5077018) Show SMILES COc1cc2c(n[nH]c2cc1-c1cc(C)nc(C)c1)C(=O)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543162 (CHEMBL4644098) Show SMILES FC(F)(F)c1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12 Show InChI InChI=1S/C21H21F3N4O/c22-21(23,24)17-11-13(16-3-4-19(29)27-9-1-2-18(16)27)10-14-12-28(26-20(14)17)15-5-7-25-8-6-15/h3-4,10-12,15,25H,1-2,5-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50560355 (CHEMBL4740968) Show SMILES Cc1cc(cnc1OCC12CCC(O)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586252 (CHEMBL5086681) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50560351 (CHEMBL4748638) Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586259 (CHEMBL5090067) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50543137 (CHEMBL4634860) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543149 (CHEMBL4649727) Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12 Show InChI InChI=1S/C21H24N4O/c1-14-11-15(18-4-5-20(26)24-10-2-3-19(18)24)12-16-13-25(23-21(14)16)17-6-8-22-9-7-17/h4-5,11-13,17,22H,2-3,6-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586261 (CHEMBL5078689) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50560350 (CHEMBL4783510) Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50560351 (CHEMBL4748638) Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586257 (CHEMBL5089636) Show SMILES COc1cc(ccn1)-c1cc2[nH]nc(NC3CCN(C)CC3)c2cc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586256 (CHEMBL5085458) Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50586258 (CHEMBL5085289) Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(C)cc12)-c1ccnc(C)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543148 (CHEMBL4634366) Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cn(C)c(=O)c2ccoc12 Show InChI InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50586261 (CHEMBL5078689) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50560357 (CHEMBL4761527) Show SMILES Cn1nc(-c2ccc(OCC3CC4(CNC4)C3)c(F)c2)c2cnc(N)nc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50543153 (CHEMBL4647201) Show SMILES Cc1c(ccc(=O)n1C)-c1cc(C2CC2)c2nn(cc2c1)C1CCNCC1 Show InChI InChI=1S/C22H26N4O/c1-14-19(5-6-21(27)25(14)2)16-11-17-13-26(18-7-9-23-10-8-18)24-22(17)20(12-16)15-3-4-15/h5-6,11-13,15,18,23H,3-4,7-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair

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