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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 = 'BDBM50125368'   
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))		BDBM50125368
PNG
(CHEMBL3623641)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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Article
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 380n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...

Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair