Found 5 hits for monomerid = 50349845 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 |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50349845
(CHEMBL1813207)Show SMILES COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H19N7O6S/c1-27-11(23)7-17-13-20-14(18-8-12(24)28-2)22-15(21-13)19-9-3-5-10(6-4-9)29(16,25)26/h3-6H,7-8H2,1-2H3,(H2,16,25,26)(H3,17,18,19,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50349845
(CHEMBL1813207)Show SMILES COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H19N7O6S/c1-27-11(23)7-17-13-20-14(18-8-12(24)28-2)22-15(21-13)19-9-3-5-10(6-4-9)29(16,25)26/h3-6H,7-8H2,1-2H3,(H2,16,25,26)(H3,17,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349845
(CHEMBL1813207)Show SMILES COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H19N7O6S/c1-27-11(23)7-17-13-20-14(18-8-12(24)28-2)22-15(21-13)19-9-3-5-10(6-4-9)29(16,25)26/h3-6H,7-8H2,1-2H3,(H2,16,25,26)(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50349845
(CHEMBL1813207)Show SMILES COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H19N7O6S/c1-27-11(23)7-17-13-20-14(18-8-12(24)28-2)22-15(21-13)19-9-3-5-10(6-4-9)29(16,25)26/h3-6H,7-8H2,1-2H3,(H2,16,25,26)(H3,17,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50349845
(CHEMBL1813207)Show SMILES COC(=O)CNc1nc(NCC(=O)OC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H19N7O6S/c1-27-11(23)7-17-13-20-14(18-8-12(24)28-2)22-15(21-13)19-9-3-5-10(6-4-9)29(16,25)26/h3-6H,7-8H2,1-2H3,(H2,16,25,26)(H3,17,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 502 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |