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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase (mtCA 1)' and Ligand = 'BDBM50339603'   
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 (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50339603
PNG
(CHEMBL578932 | N-tert-butyl-2-(3-chloro-4-hydroxyp...)
Show SMILES CC(C)(C)NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C12H16ClNO2/c1-12(2,3)14-11(16)7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair