Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50515838' 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)) | BDBM50515838
(CHEMBL4459675)Show SMILES CC(=O)N1N=C(CC1c1cc(Cl)ccc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-8-12(18)4-7-15(14)19)9-16(21-22)11-2-5-13(6-3-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25) | 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)) | BDBM50515838
(CHEMBL4459675)Show SMILES CC(=O)N1N=C(CC1c1cc(Cl)ccc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-8-12(18)4-7-15(14)19)9-16(21-22)11-2-5-13(6-3-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25) | 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)) | BDBM50515838
(CHEMBL4459675)Show SMILES CC(=O)N1N=C(CC1c1cc(Cl)ccc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-8-12(18)4-7-15(14)19)9-16(21-22)11-2-5-13(6-3-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | 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 | |
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