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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 = 'BDBM50028562'   
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))
BDBM50028562
PNG
(CHEMBL3342501)
Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
8.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair