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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 = 'BDBM239157'   
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))		BDBM239157
PNG
(α-CA inhibitor, 2)
Show SMILES OC1C[C@@H](OCC2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@@H](O)C(O)[C@@H]2O)C(O)[C@@H](O)C1O |r|
Show InChI InChI=1S/C27H30O16/c28-9-4-12(31)17-14(5-9)41-25(8-1-2-10(29)11(30)3-8)26(21(17)36)43-27-24(39)23(38)20(35)16(42-27)7-40-15-6-13(32)18(33)22(37)19(15)34/h1-5,13,15-16,18-20,22-24,27-35,37-39H,6-7H2/t13?,15-,16?,18?,19?,20-,22+,23?,24+,27+/m1/s1
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 830n/an/an/an/an/an/a7.4n/a



Ege University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 28: 412-7 (2013)


Article DOI: 10.3109/14756366.2011.651464
BindingDB Entry DOI: 10.7270/Q2W66JQ2
More data for this
Ligand-Target Pair