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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 = 'BDBM12944'   
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))		BDBM12944
PNG
((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/m1/s1
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Similars
Article
PubMed
 8.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay

Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
BindingDB Entry DOI: 10.7270/Q2JD4XMG
More data for this
Ligand-Target Pair