null
SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1
InChI Key: InChIKey=ZDWACNOUAONLJG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50258990 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 2
(Homo sapiens (Human)) | BDBM50258990
(CHEMBL4090426)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H23N5O5S2/c27-20(22-12-15-1-6-18-19(11-15)31-14-30-18)13-33-21(32)23-25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11H,7-10,12-14H2,(H,22,27)(H,23,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.799 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-2 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258990
(CHEMBL4090426)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H23N5O5S2/c27-20(22-12-15-1-6-18-19(11-15)31-14-30-18)13-33-21(32)23-25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11H,7-10,12-14H2,(H,22,27)(H,23,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.903 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |