Found 5 hits for monomerid = 50428627 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 1
(Homo sapiens (Human)) | BDBM50428627
(CHEMBL2331762)Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C17H22N4O4S/c1-2-3-12-25-16-10-8-14(9-11-16)20-17(22)19-13-4-6-15(7-5-13)21-26(18,23)24/h4-11,21H,2-3,12H2,1H3,(H2,18,23,24)(H2,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Romanian Academy
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 |
Bioorg Med Chem 21: 1404-9 (2013)
Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428627
(CHEMBL2331762)Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C17H22N4O4S/c1-2-3-12-25-16-10-8-14(9-11-16)20-17(22)19-13-4-6-15(7-5-13)21-26(18,23)24/h4-11,21H,2-3,12H2,1H3,(H2,18,23,24)(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Romanian Academy
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 |
Bioorg Med Chem 21: 1404-9 (2013)
Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428627
(CHEMBL2331762)Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C17H22N4O4S/c1-2-3-12-25-16-10-8-14(9-11-16)20-17(22)19-13-4-6-15(7-5-13)21-26(18,23)24/h4-11,21H,2-3,12H2,1H3,(H2,18,23,24)(H2,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Romanian Academy
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 |
Bioorg Med Chem 21: 1404-9 (2013)
Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428627
(CHEMBL2331762)Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C17H22N4O4S/c1-2-3-12-25-16-10-8-14(9-11-16)20-17(22)19-13-4-6-15(7-5-13)21-26(18,23)24/h4-11,21H,2-3,12H2,1H3,(H2,18,23,24)(H2,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Romanian Academy
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 |
Bioorg Med Chem 21: 1404-9 (2013)
Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Candida albicans (Yeast)) | BDBM50428627
(CHEMBL2331762)Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C17H22N4O4S/c1-2-3-12-25-16-10-8-14(9-11-16)20-17(22)19-13-4-6-15(7-5-13)21-26(18,23)24/h4-11,21H,2-3,12H2,1H3,(H2,18,23,24)(H2,19,20,22) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 135 | 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 recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase... |
Bioorg Med Chem Lett 23: 2647-52 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P |
More data for this Ligand-Target Pair | |