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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM193737'   
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 2


(Homo sapiens (Human))		BDBM193737
PNG
(1-(3-(2-(2,4-Dioxopentan-3-ylidene)hydrazinyl)phen...)
Show SMILES [#6]-[#6](=O)-[#6](=[#7]/[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c1-c1ccccc1)\[#6](-[#6])=O
Show InChI InChI=1S/C26H22N12O8S4/c1-12(39)18(13(2)40)32-31-15-9-6-10-16(11-15)38-20(14-7-4-3-5-8-14)17(21(41)29-23-33-35-25(47-23)49(27,43)44)19(37-38)22(42)30-24-34-36-26(48-24)50(28,45)46/h3-11,31H,1-2H3,(H2,27,43,44)(H2,28,45,46)(H,29,33,41)(H,30,34,42)
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Similars
Article
PubMed
 494n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...

Bioorg Chem 68: 64-71 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.006
BindingDB Entry DOI: 10.7270/Q2N29VQC
More data for this
Ligand-Target Pair