BDBM50095994 3-Cyano-7-hydroxycoumarin (2)::7-Hydroxy-2-oxo-2H-chromene-3-carbonitrile::CHEMBL150302
SMILES: Oc1ccc2cc(C#N)c(=O)oc2c1
InChI Key: InChIKey=IJQYTHQDUDCJEQ-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 9 (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 240 | -8.39 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 370 | -8.15 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.87E+3 | -7.26 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.27E+3 | -7.15 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF) | J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.98E+3 | -7.00 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.34E+3 | -6.68 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 6.25E+3 | -6.59 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.11E+3 | -6.52 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.04E+5 | -5.05 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >2.00E+5 | >-4.69 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >2.00E+5 | >-4.69 | n/a | n/a | n/a | n/a | n/a | 7.5 | 4 |
Ecole Nationale Supérieure de Chimie de Montpellier | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of... | J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F | |||||||||||
More data for this Ligand-Target Pair |