Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50515806' 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)) | BDBM50515806
(CHEMBL4533252)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | 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)) | BDBM50515806
(CHEMBL4533252)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | 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)) | BDBM50515806
(CHEMBL4533252)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | 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 | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515806
(CHEMBL4533252)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha expressed in Sf-9 cells |
Eur J Med Chem 162: 679-734 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.017
BindingDB Entry DOI: 10.7270/Q21839DX |
More data for this
Ligand-Target Pair | |
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