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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 = 'BDBM50337751'   
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))
BDBM50337751
PNG
(4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan...)
Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(=O)C2 |r|
Show InChI InChI=1S/C18H26N2O5S2/c1-17(2)14-7-9-18(17,16(21)11-14)12-26(22,23)20-10-8-13-3-5-15(6-4-13)27(19,24)25/h3-6,14,20H,7-12H2,1-2H3,(H2,19,24,25)/t14?,18-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
33.2n/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