Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50515814' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515814
(CHEMBL4540711)Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515814
(CHEMBL4540711)Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515814
(CHEMBL4540711)Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |