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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 = 'BDBM50513291'   
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))		BDBM50513291
PNG
(CHEMBL4448793)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]C2([#6]-1)[#7]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c3ccc(cc3)S([#7])(=O)=O)cc1)-[#6]2=O
Show InChI InChI=1S/C24H28N4O5SSe/c1-16-3-2-12-24(13-16)22(30)28(23(31)27-24)14-21(29)26-18-6-10-20(11-7-18)35-15-17-4-8-19(9-5-17)34(25,32)33/h4-11,16H,2-3,12-15H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
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Article
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 0.700n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay

Eur J Med Chem 177: 188-197 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.058
BindingDB Entry DOI: 10.7270/Q2T156ZB
More data for this
Ligand-Target Pair