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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 = 'BDBM50502606'   
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))		BDBM50502606
PNG
(CHEMBL4539159)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccc2COB(O)c2c1)C(=O)Nc1ccc2COB(O)c2c1 |r|
Show InChI InChI=1S/C23H27B2N3O8/c1-23(2,3)36-22(31)28-19(21(30)27-16-7-5-14-12-35-25(33)18(14)9-16)10-20(29)26-15-6-4-13-11-34-24(32)17(13)8-15/h4-9,19,32-33H,10-12H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)/t19-/m0/s1
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 908n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...

ACS Med Chem Lett 10: 1205-1210 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00252
BindingDB Entry DOI: 10.7270/Q21C2137
More data for this
Ligand-Target Pair