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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 = 'BDBM50171024'   
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))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
PDB
MMDB

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PC cid
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Article
PubMed
3n/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