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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 = 'BDBM50066120'   
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))
BDBM50066120
PNG
(CHEMBL3402972)
Show SMILES NS(=O)(=O)c1nc2ccc(OCC#Cc3ccccc3)cc2s1
Show InChI InChI=1S/C16H12N2O3S2/c17-23(19,20)16-18-14-9-8-13(11-15(14)22-16)21-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,10H2,(H2,17,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1828-40 (2015)


Article DOI: 10.1016/j.bmc.2015.02.027
BindingDB Entry DOI: 10.7270/Q2KS6T6Q
More data for this
Ligand-Target Pair