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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 = 'BDBM193742'   
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))		BDBM193742
PNG
(Diethyl 2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3...)
Show SMILES [#6]-[#6]-[#8]-[#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](=O)-[#8]-[#6]-[#6]
Show InChI InChI=1S/C28H26N12O10S4/c1-3-49-23(43)19(24(44)50-4-2)34-33-15-11-8-12-16(13-15)40-20(14-9-6-5-7-10-14)17(21(41)31-25-35-37-27(51-25)53(29,45)46)18(39-40)22(42)32-26-36-38-28(52-26)54(30,47)48/h5-13,33H,3-4H2,1-2H3,(H2,29,45,46)(H2,30,47,48)(H,31,35,41)(H,32,36,42)
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Similars
Article
PubMed
 461n/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