Found 5 hits for monomerid = 50349859 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 12
(Homo sapiens (Human)) | BDBM50349859
(CHEMBL1813206)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCC(O)=O)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15N7O6S/c14-27(25,26)8-3-1-7(2-4-8)17-13-19-11(15-5-9(21)22)18-12(20-13)16-6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)(H2,14,25,26)(H3,15,16,17,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | 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 XIV
(Homo sapiens (Human)) | BDBM50349859
(CHEMBL1813206)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCC(O)=O)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15N7O6S/c14-27(25,26)8-3-1-7(2-4-8)17-13-19-11(15-5-9(21)22)18-12(20-13)16-6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)(H2,14,25,26)(H3,15,16,17,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | 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 9
(Homo sapiens (Human)) | BDBM50349859
(CHEMBL1813206)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCC(O)=O)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15N7O6S/c14-27(25,26)8-3-1-7(2-4-8)17-13-19-11(15-5-9(21)22)18-12(20-13)16-6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)(H2,14,25,26)(H3,15,16,17,18,19,20) | 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
| 8.40 | 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)) | BDBM50349859
(CHEMBL1813206)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCC(O)=O)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15N7O6S/c14-27(25,26)8-3-1-7(2-4-8)17-13-19-11(15-5-9(21)22)18-12(20-13)16-6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)(H2,14,25,26)(H3,15,16,17,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 376 | 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)) | BDBM50349859
(CHEMBL1813206)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCC(O)=O)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15N7O6S/c14-27(25,26)8-3-1-7(2-4-8)17-13-19-11(15-5-9(21)22)18-12(20-13)16-6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)(H2,14,25,26)(H3,15,16,17,18,19,20) | 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
| 4.55E+3 | 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 | |