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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 = 'BDBM50131680'   
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))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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PC cid
PC sid
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Similars

Article
PubMed
720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 7181-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.014
BindingDB Entry DOI: 10.7270/Q29W0HB2
More data for this
Ligand-Target Pair