Found 22 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50266966
(CHEMBL1662 | di(2,6-di-t-butylphenol))Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50240689
(2,6-Di-tert-butyl-4-methoxy-phenol | 2,6-di-tert-b...)Show InChI InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50240431
(2,6-Di-tert-butyl-phenol | 2,6-di-t-butylphenol | ...)Show InChI InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50079507
(2,6-Bis(1,1-dimethylethyl)-4-methylphenol | 2,6-Di...)Show InChI InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50266963
(3-hydroxy-2-methoxybenzaldehyde | CHEMBL507918)Show InChI InChI=1S/C8H8O3/c1-11-8-6(5-9)3-2-4-7(8)10/h2-5,10H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50266965
(CHEMBL478518 | di(2,6-diisopropylphenol))Show SMILES CC(C)c1cc(cc(C(C)C)c1O)-c1cc(C(C)C)c(O)c(c1)C(C)C Show InChI InChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50240369
(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)Show InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50266964
(CHEMBL449983 | di(2,6-dimethylphenol))Show InChI InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50058046
(CHEMBL526 | propofol)Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 3.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50266966
(CHEMBL1662 | di(2,6-di-t-butylphenol))Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| 3.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50266965
(CHEMBL478518 | di(2,6-diisopropylphenol))Show SMILES CC(C)c1cc(cc(C(C)C)c1O)-c1cc(C(C)C)c(O)c(c1)C(C)C Show InChI InChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| Article PubMed
| 3.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50266963
(3-hydroxy-2-methoxybenzaldehyde | CHEMBL507918)Show InChI InChI=1S/C8H8O3/c1-11-8-6(5-9)3-2-4-7(8)10/h2-5,10H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50240369
(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)Show InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| 6.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50240689
(2,6-Di-tert-butyl-4-methoxy-phenol | 2,6-di-tert-b...)Show InChI InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| 6.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50266964
(CHEMBL449983 | di(2,6-dimethylphenol))Show InChI InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 9.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50058046
(CHEMBL526 | propofol)Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 9.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50240430
(2,6-Dimethyl phenol | 2,6-Dimethyl-phenol | 2,6-Di...)Show InChI InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50240430
(2,6-Dimethyl phenol | 2,6-Dimethyl-phenol | 2,6-Di...)Show InChI InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
| Article PubMed
| 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50079507
(2,6-Bis(1,1-dimethylethyl)-4-methylphenol | 2,6-Di...)Show InChI InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50240431
(2,6-Di-tert-butyl-phenol | 2,6-di-t-butylphenol | ...)Show InChI InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate |
Bioorg Med Chem 17: 3207-11 (2009)
Article DOI: 10.1016/j.bmc.2009.01.067 BindingDB Entry DOI: 10.7270/Q2N58M7V |
More data for this Ligand-Target Pair | |