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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 = 'BDBM50043915'   
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))
BDBM50043915
PNG
(2-Oxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-...)
Show SMILES NS(=O)(=O)c1cc2NC(=O)CSc2s1
Show InChI InChI=1S/C6H6N2O3S3/c7-14(10,11)5-1-3-6(13-5)12-2-4(9)8-3/h1H,2H2,(H,8,9)(H2,7,10,11)
PDB
MMDB

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PubMed
24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)


J Med Chem 37: 240-7 (1994)


BindingDB Entry DOI: 10.7270/Q2N29XKD
More data for this
Ligand-Target Pair