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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 = 'BDBM50344558'   
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))
BDBM50344558
PNG
(4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...)
Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H26N2O10S/c1-32-21-16-18(8-12-22(26)33-14-2-3-15-34-25(28)29)6-11-20(21)35-23(27)13-7-17-4-9-19(10-5-17)36(24,30)31/h4-6,8-12,16H,2-3,7,13-15H2,1H3,(H2,24,30,31)/b12-8+
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87n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair