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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 = 'BDBM193746'   
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))		BDBM193746
PNG
(1-(3-((2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]/[#7]-c2cccc(c2)-n2nc(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c2-c2ccccc2)-[#6](=O)-[#6]1
Show InChI InChI=1S/C29H26N12O8S4/c1-29(2)12-17(42)20(18(43)13-29)35-34-15-9-6-10-16(11-15)41-22(14-7-4-3-5-8-14)19(23(44)32-25-36-38-27(50-25)52(30,46)47)21(40-41)24(45)33-26-37-39-28(51-26)53(31,48)49/h3-11,34H,12-13H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,44)(H,33,37,45)
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Similars
Article
PubMed
 787n/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