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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)' and Ligand = 'BDBM50258299'   
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
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50258299
PNG
(1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophe...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)|
Show InChI InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.930n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay


J Med Chem 52: 4063-7 (2009)


Article DOI: 10.1021/jm9004016
BindingDB Entry DOI: 10.7270/Q2736QTJ
More data for this
Ligand-Target Pair