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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50133395'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50133395
PNG
(CHEMBL3632831)
Show SMILES Nc1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
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PC cid
PC sid
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Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01144
BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50133395
PNG
(CHEMBL3632831)
Show SMILES Nc1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair