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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 = 'BDBM193739'   
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))		BDBM193739
PNG
(Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...)
Show SMILES CCOC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(C)=O
Show InChI InChI=1S/C27H24N12O9S4/c1-3-48-23(43)18(13(2)40)33-32-15-10-7-11-16(12-15)39-20(14-8-5-4-6-9-14)17(21(41)30-24-34-36-26(49-24)51(28,44)45)19(38-39)22(42)31-25-35-37-27(50-25)52(29,46)47/h4-12,32H,3H2,1-2H3,(H2,28,44,45)(H2,29,46,47)(H,30,34,41)(H,31,35,42)/b33-18-
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Similars
Article
PubMed
 208n/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