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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM193745'   
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 1


(Homo sapiens (Human))
BDBM193745
PNG
(1-(3-((2-Hydroxy-6-oxocyclohex-1-en-1-yl)diazenyl)...)
Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6]-3/[#6](=O)-[#6]-[#6]-[#6]-[#6]-3=O)c2)s1
Show InChI InChI=1S/C27H22N12O8S4/c28-50(44,45)26-36-34-24(48-26)30-22(42)18-20(23(43)31-25-35-37-27(49-25)51(29,46)47)38-39(21(18)13-6-2-1-3-7-13)15-9-4-8-14(12-15)32-33-19-16(40)10-5-11-17(19)41/h1-4,6-9,12,32H,5,10-11H2,(H2,28,44,45)(H2,29,46,47)(H,30,34,42)(H,31,35,43)
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PC cid
PC sid
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Article
PubMed
508n/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