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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 = 'BDBM193740'   
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))		BDBM193740
PNG
(1-(3-(2-(1,3-Dioxo-1,3-diphenylpropan-2-ylidene)hy...)
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](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)s1
Show InChI InChI=1S/C36H26N12O8S4/c37-59(53,54)35-45-43-33(57-35)39-31(51)25-26(32(52)40-34-44-46-36(58-34)60(38,55)56)47-48(28(25)20-11-4-1-5-12-20)24-18-10-17-23(19-24)41-42-27(29(49)21-13-6-2-7-14-21)30(50)22-15-8-3-9-16-22/h1-19,41H,(H2,37,53,54)(H2,38,55,56)(H,39,43,51)(H,40,44,52)
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Similars
Article
PubMed
 878n/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