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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 = 'BDBM193743'   
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))		BDBM193743
PNG
(Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...)
Show SMILES CCCC(=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(=O)OCC
Show InChI InChI=1S/C29H28N12O9S4/c1-3-9-18(42)20(25(45)50-4-2)35-34-16-12-8-13-17(14-16)41-22(15-10-6-5-7-11-15)19(23(43)32-26-36-38-28(51-26)53(30,46)47)21(40-41)24(44)33-27-37-39-29(52-27)54(31,48)49/h5-8,10-14,34H,3-4,9H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-20-
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Similars
Article
PubMed
 246n/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