BDBM50296250 (S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl)acrylate::CHEMBL560175
SMILES: COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C
InChI Key: InChIKey=KXEZMFMTEVLUPQ-ZFDPJTLLSA-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 1 (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 15 (Mus musculus) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 9.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIII (Mus musculus (mouse)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM50296250 ((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 4102-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.002 BindingDB Entry DOI: 10.7270/Q23778S7 | |||||||||||
More data for this Ligand-Target Pair |