BDBM50525476 CHEMBL4581749
SMILES: COc1ccc(\C=C2\SC(Nc3ccc(OS(N)(=O)=O)cc3)=NC2=O)cc1
InChI Key: InChIKey=ZULWPYCDBWQARE-XNTDXEJSSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50525476 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)) | BDBM50525476
(CHEMBL4581749)Show SMILES COc1ccc(\C=C2\SC(Nc3ccc(OS(N)(=O)=O)cc3)=NC2=O)cc1 |c:22| Show InChI InChI=1S/C17H15N3O5S2/c1-24-13-6-2-11(3-7-13)10-15-16(21)20-17(26-15)19-12-4-8-14(9-5-12)25-27(18,22)23/h2-10H,1H3,(H2,18,22,23)(H,19,20,21)/b15-10+ | 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)) | BDBM50525476
(CHEMBL4581749)Show SMILES COc1ccc(\C=C2\SC(Nc3ccc(OS(N)(=O)=O)cc3)=NC2=O)cc1 |c:22| Show InChI InChI=1S/C17H15N3O5S2/c1-24-13-6-2-11(3-7-13)10-15-16(21)20-17(26-15)19-12-4-8-14(9-5-12)25-27(18,22)23/h2-10H,1H3,(H2,18,22,23)(H,19,20,21)/b15-10+ | 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 | |