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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 = 'BDBM50237370'   
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))
BDBM50237370
PNG
(CHEMBL4071722)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O
Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H2,21,25,26)
PDB
MMDB

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Article
PubMed
47n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...


J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair