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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 = 'BDBM50510059'   
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))
BDBM50510059
PNG
(CHEMBL4578633)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H19NO5/c1-2-27-21(26)19(24)14-18(23)13-10-15-8-11-17(12-9-15)22-20(25)16-6-4-3-5-7-16/h3-14,24H,2H2,1H3,(H,22,25)/b13-10+,19-14-
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
35n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


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


ACS Med Chem Lett 10: 661-665 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00023
BindingDB Entry DOI: 10.7270/Q2MK6H7P
More data for this
Ligand-Target Pair