Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50515811' 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)) | BDBM50515811
(CHEMBL4580659)Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27) | 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)) | BDBM50515811
(CHEMBL4580659)Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27) | 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)) | BDBM50515811
(CHEMBL4580659)Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.830 | 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 | |