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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase XIV' and Ligand = 'BDBM50133407'   
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 XIV


(Homo sapiens (Human))
BDBM50133407
PNG
(CHEMBL3632843)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H16N2O4S/c20-26(24,25)19-11-7-17(8-12-19)16-5-1-14(2-6-16)13-15-3-9-18(10-4-15)21(22)23/h1-12H,13H2,(H2,20,24,25)
PDB

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PC cid
PC sid
UniChem
PubMed
3.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method


J Med Chem 58: 8564-72 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3V5V
More data for this
Ligand-Target Pair