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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 = 'BDBM50171014'   
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))
BDBM50171014
PNG
(CHEMBL179355 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C15H17FN4O2S2/c16-13-3-1-2-4-14(13)19-20-15(23)18-10-9-11-5-7-12(8-6-11)24(17,21)22/h1-8,19H,9-10H2,(H2,17,21,22)(H2,18,20,23)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
BindingDB Entry DOI: 10.7270/Q2H132SW
More data for this
Ligand-Target Pair