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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 = 'BDBM12942'   
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))		BDBM12942
PNG
((2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-methoxy-2-[(...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=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/C23H29N5O11S/c1-12(29)36-19-18(39-23(35-4)21(38-14(3)31)20(19)37-13(2)30)11-28-10-16(26-27-28)9-25-22(32)15-5-7-17(8-6-15)40(24,33)34/h5-8,10,18-21,23H,9,11H2,1-4H3,(H,25,32)(H2,24,33,34)/t18-,19-,20+,21-,23+/m1/s1
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Similars
Article
PubMed
 8n/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