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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 = 'BDBM50106421'   
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))
BDBM50106421
PNG
(CHEMBL3601893)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccccc2)n1C1CCCCC1
Show InChI InChI=1S/C21H23N3O2S2/c22-28(25,26)19-13-11-17(12-14-19)23-21-24(18-9-5-2-6-10-18)20(15-27-21)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H2,22,25,26)/b23-21-
PDB
MMDB

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27n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


Bioorg Med Chem Lett 25: 3281-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair