BDBM50525466 CHEMBL4440045
SMILES: NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(cc2)[N+]([O-])=O)cc1
InChI Key: InChIKey=UGOZNIFGLZJUOJ-NTEUORMPSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50525466 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 anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50525466
(CHEMBL4440045)Show SMILES NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(cc2)[N+]([O-])=O)cc1 |t:10| Show InChI InChI=1S/C16H12N4O6S2/c17-28(24,25)26-13-7-3-11(4-8-13)18-16-19-15(21)14(27-16)9-10-1-5-12(6-2-10)20(22)23/h1-9H,(H2,17,24,25)(H,18,19,21)/b14-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 |
Eur J Med Chem 179: 257-271 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.052 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50525466
(CHEMBL4440045)Show SMILES NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(cc2)[N+]([O-])=O)cc1 |t:10| Show InChI InChI=1S/C16H12N4O6S2/c17-28(24,25)26-13-7-3-11(4-8-13)18-16-19-15(21)14(27-16)9-10-1-5-12(6-2-10)20(22)23/h1-9H,(H2,17,24,25)(H,18,19,21)/b14-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sharjah
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 |
Eur J Med Chem 179: 257-271 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.052 |
More data for this Ligand-Target Pair | |