Found 183 hits with Last Name = 'tagore' and Initial = 'dm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Toll-like receptor 7
(Mus musculus) | BDBM21958
(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM21958
(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443496
(US10660877, Example 73)Show SMILES CC(C)c1c([nH]c2cc(F)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C22H26FN3/c1-13(2)21-18-11-17(15-4-7-24-8-5-15)19(23)12-20(18)26-22(21)16-6-9-25-14(3)10-16/h6,9-13,15,24,26H,4-5,7-8H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443500
(US10660877, Example 77)Show SMILES CC(C)c1c([nH]c2ccc(C3CCNCC3)c(F)c12)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C23H28FN3/c1-13(2)20-21-19(27-23(20)17-11-14(3)26-15(4)12-17)6-5-18(22(21)24)16-7-9-25-10-8-16/h5-6,11-13,16,25,27H,7-10H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM442004
(US10660877, Example 31)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)ncc1C Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3 | 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
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM21958
(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM21958
(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM441973
(2-(2-fluoro-6-methylpyridin-4-yl)-3-isopropyl-5-(p...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(F)c1 Show InChI InChI=1S/C22H26FN3/c1-13(2)21-18-11-16(15-6-8-24-9-7-15)4-5-19(18)26-22(21)17-10-14(3)25-20(23)12-17/h4-5,10-13,15,24,26H,6-9H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443111
(US10660877, Example 46)Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM442004
(US10660877, Example 31)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)ncc1C Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443496
(US10660877, Example 73)Show SMILES CC(C)c1c([nH]c2cc(F)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C22H26FN3/c1-13(2)21-18-11-17(15-4-7-24-8-5-15)19(23)12-20(18)26-22(21)16-6-9-25-14(3)10-16/h6,9-13,15,24,26H,4-5,7-8H2,1-3H3 | 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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443506
(US10660877, Example 83)Show SMILES CCc1c([nH]c2cc(F)c(C3CCNCC3)c(F)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C21H23F2N3/c1-3-15-19-17(26-21(15)14-6-9-25-12(2)10-14)11-16(22)18(20(19)23)13-4-7-24-8-5-13/h6,9-11,13,24,26H,3-5,7-8H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443500
(US10660877, Example 77)Show SMILES CC(C)c1c([nH]c2ccc(C3CCNCC3)c(F)c12)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C23H28FN3/c1-13(2)20-21-19(27-23(20)17-11-14(3)26-15(4)12-17)6-5-18(22(21)24)16-7-9-25-10-8-16/h5-6,11-13,16,25,27H,7-10H2,1-4H3 | 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
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM21958
(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM441973
(2-(2-fluoro-6-methylpyridin-4-yl)-3-isopropyl-5-(p...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(F)c1 Show InChI InChI=1S/C22H26FN3/c1-13(2)21-18-11-16(15-6-8-24-9-7-15)4-5-19(18)26-22(21)17-10-14(3)25-20(23)12-17/h4-5,10-13,15,24,26H,6-9H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM441974
(US10660877, Example 5)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-14(2)21-19-13-17(16-6-9-23-10-7-16)4-5-20(19)25-22(21)18-8-11-24-15(3)12-18/h4-5,8,11-14,16,23,25H,6-7,9-10H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM21958
(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at TLR7 (unknown origin) in PBMC cells assessed as reduction of IL-6 production |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at TLR8 in human whole blood cells assessed as inhibition of IL-6 production by ELISA |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at TLR7 in human whole blood cells assessed as inhibition of gardiquimod induced IL-6 production by ELISA |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM441974
(US10660877, Example 5)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-14(2)21-19-13-17(16-6-9-23-10-7-16)4-5-20(19)25-22(21)18-8-11-24-15(3)12-18/h4-5,8,11-14,16,23,25H,6-7,9-10H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM442800
(US10660877, Example 38)Show InChI InChI=1S/C21H25N3/c1-14(2)20-18-13-17(15-5-9-22-10-6-15)3-4-19(18)24-21(20)16-7-11-23-12-8-16/h3-4,7-8,11-15,22,24H,5-6,9-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM442804
(US10660877, Example 39)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1C Show InChI InChI=1S/C24H31N3/c1-14(2)23-21-13-19(18-8-10-25-11-9-18)6-7-22(21)27-24(23)20-12-15(3)26-17(5)16(20)4/h6-7,12-14,18,25,27H,8-11H2,1-5H3 | PDB
UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM441989
(US10660877, Example 19)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccncc1CO Show InChI InChI=1S/C22H27N3O/c1-14(2)21-19-11-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)18-7-10-24-12-17(18)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443498
(US10660877, Example 75)Show SMILES CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443111
(US10660877, Example 46)Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | PDB
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Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at human TLR7 overexpressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB and AP-1 activation preincub... |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | PDB
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Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at TLR7 in human pDC assessed as inhibition of inactivated flu-virus induced IFN-alpha production incubated for 24 hrs measured b... |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443506
(US10660877, Example 83)Show SMILES CCc1c([nH]c2cc(F)c(C3CCNCC3)c(F)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C21H23F2N3/c1-3-15-19-17(26-21(15)14-6-9-25-12(2)10-14)11-16(22)18(20(19)23)13-4-7-24-8-5-13/h6,9-11,13,24,26H,3-5,7-8H2,1-2H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443505
(US10660877, Example 82)Show SMILES CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443462
(US10660877, Example 63)Show InChI InChI=1S/C21H25N3/c1-3-18-19-13-16(15-6-9-22-10-7-15)4-5-20(19)24-21(18)17-8-11-23-14(2)12-17/h4-5,8,11-13,15,22,24H,3,6-7,9-10H2,1-2H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443497
(US10660877, Example 74)Show SMILES CC(C)c1c([nH]c2cc(c(cc12)C1CCNCC1)C(F)(F)F)-c1ccnc(C)c1 Show InChI InChI=1S/C23H26F3N3/c1-13(2)21-18-11-17(15-4-7-27-8-5-15)19(23(24,25)26)12-20(18)29-22(21)16-6-9-28-14(3)10-16/h6,9-13,15,27,29H,4-5,7-8H2,1-3H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | PDB
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Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at human TLR8 overexpressed in HEK-Blue cells assessed as inhibition of R848-induced NFkappaB and AP-1 activation preincubated fo... |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM442002
(US10660877, Example 30)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(C)c1C Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-18(17-7-10-24-11-8-17)5-6-21(20)26-23(22)19-9-12-25-16(4)15(19)3/h5-6,9,12-14,17,24,26H,7-8,10-11H2,1-4H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443890
(2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM442804
(US10660877, Example 39)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1C Show InChI InChI=1S/C24H31N3/c1-14(2)23-21-13-19(18-8-10-25-11-9-18)6-7-22(21)27-24(23)20-12-15(3)26-17(5)16(20)4/h6-7,12-14,18,25,27H,8-11H2,1-5H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443462
(US10660877, Example 63)Show InChI InChI=1S/C21H25N3/c1-3-18-19-13-16(15-6-9-22-10-7-15)4-5-20(19)24-21(18)17-8-11-23-14(2)12-17/h4-5,8,11-13,15,22,24H,3,6-7,9-10H2,1-2H3 | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443505
(US10660877, Example 82)Show SMILES CCc1c([nH]c2ccc(C3CCNCC3)c(C)c12)-c1ccnc(C)c1 Show InChI InChI=1S/C22H27N3/c1-4-18-21-15(3)19(16-7-10-23-11-8-16)5-6-20(21)25-22(18)17-9-12-24-14(2)13-17/h5-6,9,12-13,16,23,25H,4,7-8,10-11H2,1-3H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM441975
(US10660877, Example 6)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C22H24F3N3/c1-13(2)20-17-11-15(14-5-8-26-9-6-14)3-4-18(17)28-21(20)16-7-10-27-19(12-16)22(23,24)25/h3-4,7,10-14,26,28H,5-6,8-9H2,1-2H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM442002
(US10660877, Example 30)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(C)c1C Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-18(17-7-10-24-11-8-17)5-6-21(20)26-23(22)19-9-12-25-16(4)15(19)3/h5-6,9,12-14,17,24,26H,7-8,10-11H2,1-4H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM442800
(US10660877, Example 38)Show InChI InChI=1S/C21H25N3/c1-14(2)20-18-13-17(15-5-9-22-10-6-15)3-4-19(18)24-21(20)16-7-11-23-12-8-16/h3-4,7-8,11-15,22,24H,5-6,9-10H2,1-2H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM441995
(US10660877, Example 23)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccncc1C Show InChI InChI=1S/C22H27N3/c1-14(2)21-19-12-17(16-6-9-23-10-7-16)4-5-20(19)25-22(21)18-8-11-24-13-15(18)3/h4-5,8,11-14,16,23,25H,6-7,9-10H2,1-3H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443890
(2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Mus musculus) | BDBM50543465
(CHEMBL4636498)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3 | Reactome pathway
KEGG
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Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at TLR7 in mouse whole blood cells assessed as inhibition of gardiquimod induced IL-6 production by ELISA |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443891
(2-(2-ethyl-6-methylpyridin-4-yl)-3-isopropyl-5-(pi...)Show SMILES CCc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C24H31N3/c1-5-20-13-19(12-16(4)26-20)24-23(15(2)3)21-14-18(6-7-22(21)27-24)17-8-10-25-11-9-17/h6-7,12-15,17,25,27H,5,8-11H2,1-4H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM50543468
(CHEMBL4637139)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(CC(F)(F)F)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H32F3N3O2/c1-30-10-13-32-11-8-17(9-12-32)18-4-6-22-20(14-18)21(16-26(27,28)29)25(31-22)19-5-7-23(33-2)24(15-19)34-3/h4-7,14-15,17,30-31H,8-13,16H2,1-3H3 | PDB
UniProtKB/SwissProt
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Princ
Curated by ChEMBL
| Assay Description
Antagonist activity at human TLR7 overexpressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB and AP-1 activation preincub... |
ACS Med Chem Lett 11: 1751-1758 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM443891
(2-(2-ethyl-6-methylpyridin-4-yl)-3-isopropyl-5-(pi...)Show SMILES CCc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C24H31N3/c1-5-20-13-19(12-16(4)26-20)24-23(15(2)3)21-14-18(6-7-22(21)27-24)17-8-10-25-11-9-17/h6-7,12-15,17,25,27H,5,8-11H2,1-4H3 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM443897
(3-isopropyl-2-(2-methoxypyridin-4-yl)-5-(piperidin...)Show SMILES COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3 | PDB
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antibodypedia
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM441994
(US10660877, Example 22)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(CO)c1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-19-12-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)17-7-10-24-18(11-17)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3 | PDB
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| PC cid
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM441994
(US10660877, Example 22)Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccnc(CO)c1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-19-12-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)17-7-10-24-18(11-17)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P |
More data for this
Ligand-Target Pair | |
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