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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase VA' and Ligand = 'BDBM50337748'   
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 VA


(Homo sapiens (Human))
BDBM50337748
PNG
(4-((((1R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1...)
Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O)C(=O)C2 |r|
Show InChI InChI=1S/C17H24N2O5S2/c1-16(2)13-7-8-17(16,15(20)9-13)11-25(21,22)19-10-12-3-5-14(6-4-12)26(18,23)24/h3-6,13,19H,7-11H2,1-2H3,(H2,18,23,24)/t13?,17-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
16.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A mitochondrial isoform by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 1334-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.050
BindingDB Entry DOI: 10.7270/Q2930TF6
More data for this
Ligand-Target Pair