Found 183 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4100 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
(Homo sapiens (Human)) | BDBM50543486
(CHEMBL4649560)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)cc1OC Show InChI InChI=1S/C25H33N3O2/c1-17-22-15-19(18-9-12-28(13-10-18)14-11-26-2)5-8-23(22)27-25(17)21-7-6-20(29-3)16-24(21)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543489
(CHEMBL4648656)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C24H28N4/c1-17-22-15-20(19-8-11-28(12-9-19)13-10-26-2)6-7-23(22)27-24(17)21-5-3-4-18(14-21)16-25/h3-7,14-15,19,26-27H,8-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543490
(CHEMBL4644419)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccccc1C#N Show InChI InChI=1S/C24H28N4/c1-17-22-15-19(18-9-12-28(13-10-18)14-11-26-2)7-8-23(22)27-24(17)21-6-4-3-5-20(21)16-25/h3-8,15,18,26-27H,9-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543493
(CHEMBL4649118)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccccc1OC Show InChI InChI=1S/C24H31N3O/c1-17-21-16-19(18-10-13-27(14-11-18)15-12-25-2)8-9-22(21)26-24(17)20-6-4-5-7-23(20)28-3/h4-9,16,18,25-26H,10-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543494
(CHEMBL4638746)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C24H31N3/c1-17-4-6-20(7-5-17)24-18(2)22-16-21(8-9-23(22)26-24)19-10-13-27(14-11-19)15-12-25-3/h4-9,16,19,25-26H,10-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543495
(CHEMBL4641995)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(C)c1 Show InChI InChI=1S/C24H31N3/c1-17-5-4-6-21(15-17)24-18(2)22-16-20(7-8-23(22)26-24)19-9-12-27(13-10-19)14-11-25-3/h4-8,15-16,19,25-26H,9-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543496
(CHEMBL4644025)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccccc1C Show InChI InChI=1S/C24H31N3/c1-17-6-4-5-7-21(17)24-18(2)22-16-20(8-9-23(22)26-24)19-10-13-27(14-11-19)15-12-25-3/h4-9,16,19,25-26H,10-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50543497
(CHEMBL4649739)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccccc1 Show InChI InChI=1S/C23H29N3/c1-17-21-16-20(18-10-13-26(14-11-18)15-12-24-2)8-9-22(21)25-23(17)19-6-4-3-5-7-19/h3-9,16,18,24-25H,10-15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50597027
(CHEMBL5209157)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)nc1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50597029
(CHEMBL5197502)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(OC)n1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50597030
(CHEMBL5189738)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccnc1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50543492
(CHEMBL4636988)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(OC)c1 Show InChI InChI=1S/C24H31N3O/c1-17-22-16-19(18-9-12-27(13-10-18)14-11-25-2)7-8-23(22)26-24(17)20-5-4-6-21(15-20)28-3/h4-8,15-16,18,25-26H,9-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50543491
(CHEMBL4645620)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C24H31N3O/c1-17-22-16-20(18-10-13-27(14-11-18)15-12-25-2)6-9-23(22)26-24(17)19-4-7-21(28-3)8-5-19/h4-9,16,18,25-26H,10-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50597029
(CHEMBL5197502)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(OC)n1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 3
(Homo sapiens) | 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
GoogleScholar AffyNet
| MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 4
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 4
(Homo sapiens (Human)) | BDBM50543466
(CHEMBL4647818)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-22(21)27-25(17)20-6-8-23(29-3)24(16-20)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Antagonist activity at human TLR4 overexpressed in HEK-Blue cells assessed as inhibition of LPD-RK induced NFkappaB and AP-1 activation preincubated ... |
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 4
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Antagonist activity at human TLR4 overexpressed in HEK-Blue cells assessed as inhibition of LPD-RK induced NFkappaB and AP-1 activation preincubated ... |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50565837
(CHEMBL4787795)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 30 mins in presence of NADPH follo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX |
More data for this Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM50543487
(CHEMBL4634302)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C24H30N4O/c1-16-21-15-20(17-9-12-28(13-10-17)14-11-26-2)7-8-22(21)27-23(16)18-3-5-19(6-4-18)24(25)29/h3-8,15,17,26-27H,9-14H2,1-2H3,(H2,25,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 9
(Homo sapiens (Human)) | BDBM50543498
(CHEMBL4634971)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClFN3/c1-25-10-13-27-11-8-15(9-12-27)16-6-7-20-18(14-16)21(24)22(26-20)17-4-2-3-5-19(17)23/h2-7,14-15,25-26H,8-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated... |
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 9
(Homo sapiens (Human)) | BDBM50158100
(CHEMBL1614812)Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H28FN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated... |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50565837
(CHEMBL4787795)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of testosterone as substrate preincubated for 30 mins in presence of NADPH fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50565837
(CHEMBL4787795)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of testosterone as substrate preincubated for 0 mins in presence of NADPH fol... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50565837
(CHEMBL4787795)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 0 mins in presence of NADPH follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50565837
(CHEMBL4787795)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 0 mins in presence of NADPH follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50565837
(CHEMBL4787795)Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](CC)C[C@H](C)CC\C=C/2)Oc1nccc2cc(OC)c(F)cc12)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:37| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 in human pooled liver microsomes in presence of testosterone as substrate preincubated for 0 mins in presence of NADPH fol... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01296 BindingDB Entry DOI: 10.7270/Q27D2ZWX |
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
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Agonist activity at human TLR7 overexpressed in HEK293 cells assessed as NFkappaB expression by reporter gene assay |
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 9
(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
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Agonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as NFkappaB expression by reporter gene assay |
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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Agonist activity at human TLR8 overexpressed in HEK293 cells assessed as NFkappaB expression by reporter gene assay |
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 9
(Homo sapiens (Human)) | BDBM50543481
(CHEMBL4644144)Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccc(cc2c1C)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H28N2O3/c1-15-20-13-18(17-9-11-26(12-10-17)16(2)27)5-7-21(20)25-24(15)19-6-8-22(28-3)23(14-19)29-4/h5-8,13-14,17,25H,9-12H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated... |
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 9
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Invivo antagonist activity at TLR9 in po dosed C57BL/6 mouse assessed as reduction of CpG-ODN-1585-induced IL-6 production pretreated for 30 mins fol... |
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
(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
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Invivo antagonist activity at TLR7 in po dosed C57BL/6 mouse assessed as reduction of gardiquimod-induced IL-6 production pretreated for 30 mins foll... |
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 | |