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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 = 'BDBM50065656'   
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))
BDBM50065656
PNG
(CHEMBL3402839)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C17H16O4S/c1-12(2)20-16-6-3-13(4-7-16)14-5-8-17-15(11-14)9-10-22(18,19)21-17/h3-12H,1-2H3
PDB
MMDB

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PC cid
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Article
PubMed
8n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
BindingDB Entry DOI: 10.7270/Q2W66NFQ
More data for this
Ligand-Target Pair