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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50037223'   
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 12


(Homo sapiens (Human))
BDBM50037223
PNG
(CHEMBL3356274)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O3S2/c18-27(24,25)13-6-7-14-15(8-13)26-17(20-14)22-10-12(9-19-23)16(21-22)11-4-2-1-3-5-11/h1-10,23H,(H2,18,24,25)/b19-9+
PDB
MMDB

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Article
PubMed
35n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 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