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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 = 'BDBM50314533'   
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))
BDBM50314533
PNG
(CHEMBL1094037 | Methyl N-4-(Aminosulfonyl)benzyl-S...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C20H26N2O13S2/c1-10(23)32-15-16(33-11(2)24)18(34-12(3)25)20(35-17(15)19(26)31-4)37(29,30)22-9-13-5-7-14(8-6-13)36(21,27)28/h5-8,15-18,20,22H,9H2,1-4H3,(H2,21,27,28)/t15-,16+,17+,18-,20+/m1/s1
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PC cid
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Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair