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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50037225'   
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 2


(Homo sapiens (Human))
BDBM50037225
PNG
(CHEMBL3356273)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H10N6O4S2/c18-8-11-9-22(21-16(11)10-1-3-12(4-2-10)23(24)25)17-20-14-6-5-13(29(19,26)27)7-15(14)28-17/h1-7,9H,(H2,19,26,27)
PDB
MMDB

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Article
PubMed
1.39E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair