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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM36006'   
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


(Bos taurus)
BDBM36006
PNG
(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazole-5-s...)
Show SMILES CCCn1c2ccc(cc2[nH]c1=O)S(N)(=O)=O
Show InChI InChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16)
PDB
MMDB

KEGG

B.MOAD
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PC cid
PC sid
UniChem
n/an/an/a 197n/a 4.75E+5 0.09357.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair