BDBM50303495 CHEMBL568385::ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate
SMILES: CCOC(=O)c1cc2ccc(OC)cc2oc1=O
InChI Key: InChIKey=FWFVXBZXJKTVGL-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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Carbonic Anhydrase XIII (Mus musculus (mouse)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 15 (Mus musculus) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay | J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50303495 (CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma Sapienza Curated by ChEMBL | Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramin... | Eur J Med Chem 46: 4846-52 (2011) Article DOI: 10.1016/j.ejmech.2011.07.017 BindingDB Entry DOI: 10.7270/Q2QV3MXF | |||||||||||
More data for this Ligand-Target Pair |