Found 13 hits in this display 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 1
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 1 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 2 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 3
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 3 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 4 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 5A, mitochondrial
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 5A by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 15
(Mus musculus) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 mouse carbonic anhydrase 15 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 7 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 9 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 12 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Mus musculus (mouse)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 mouse carbonic anhydrase 13 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 14 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6
(Homo sapiens (Human)) | BDBM50323749
(CHEMBL1214322 | Di-tert-butylethane-1,2-diylbis(2-...)Show SMILES CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H32F6N4O6/c1-17(2,3)35-15(33)29(9-7-27-13(31)19(21,22)23)11-12-30(16(34)36-18(4,5)6)10-8-28-14(32)20(24,25)26/h7-12H2,1-6H3,(H,27,31)(H,28,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 6 by stopped flow CO2 hydration method |
J Med Chem 53: 5511-22 (2010)
Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB |
More data for this Ligand-Target Pair | |