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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 = 'BDBM50190239'   
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))
BDBM50190239
PNG
(CHEMBL215548 | N-benzyl-4-{[4-(benzylcarbamoyl)-5-...)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H24Cl2N4O6S4/c29-21-13-23(25(43(31,37)38)11-19(21)27(35)33-15-17-7-3-1-4-8-17)41-42-24-14-22(30)20(12-26(24)44(32,39)40)28(36)34-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,33,35)(H,34,36)(H2,31,37,38)(H2,32,39,40)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair