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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 = 'BDBM50018670'   
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))
BDBM50018670
PNG
(CHEMBL3291013)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C13H14N2O10P2S/c16-15(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)28(24,25)14-13(26(18,19)20)27(21,22)23/h1-8,13-14H,(H2,18,19,20)(H2,21,22,23)
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MMDB

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Article
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n/an/a 65n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair