BDBM357857 Aphthasol::US10214536, Amlexanox
SMILES: CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
InChI Key: InChIKey=SGRYPYWGNKJSDL-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 1.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in pres... | Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics Curated by ChEMBL | Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay | J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in pres... | Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o... | Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 851 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence o... | Bioorg Med Chem 26: 5443-5461 (2018) Article DOI: 10.1016/j.bmc.2018.09.020 BindingDB Entry DOI: 10.7270/Q2M04858 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM357857 (Aphthasol | US10214536, Amlexanox) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent | Assay Description Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio... | US Patent US10214536 (2019) BindingDB Entry DOI: 10.7270/Q2N87D2S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |