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 14
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 8.50E+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 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 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.03E+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 6
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.04E+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 | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.04E+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 2
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.07E+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 7
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.07E+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 3
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.12E+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 9
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.24E+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 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 5A, mitochondrial
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.25E+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 12
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.75E+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)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.79E+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 1
(Homo sapiens (Human)) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 15
(Mus musculus) | BDBM50323745
(CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...)Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 | |