BDBM50428439 6,7,8,-Trimethoxycoumarin::6,7,8-Trimethoxycoumarin::CHEMBL253551
SMILES: COc1cc2ccc(=O)oc2c(OC)c1OC
InChI Key: InChIKey=RAYQKHLZHPFYEJ-UHFFFAOYSA-N
Data: 6 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50428439 (6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS | |||||||||||
More data for this Ligand-Target Pair |