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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 = 'BDBM50087055'   
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))
BDBM50087055
PNG
(CHEMBL3426529)
Show SMILES [I-].C[N+](C)(C)c1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C11H14NO3S/c1-12(2,3)10-4-5-11-9(8-10)6-7-16(13,14)15-11/h4-8H,1-3H3/q+1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
BindingDB Entry DOI: 10.7270/Q2RN39KG
More data for this
Ligand-Target Pair