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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 = 'BDBM50428837'   
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))
BDBM50428837
PNG
(CHEMBL2337531)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+
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MMDB

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PC cid
PC sid
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Article
PubMed
0.650n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair