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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 = 'BDBM50018629'   
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))
BDBM50018629
PNG
(CHEMBL3291004)
Show SMILES OP(O)(=O)C(P(O)(O)=O)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C7H9BrO8P2S/c8-5-1-3-6(4-2-5)19(15,16)7(17(9,10)11)18(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
PDB
MMDB

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Article
PubMed
n/an/a 225n/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