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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 = 'BDBM50038968'   
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))
BDBM50038968
PNG
(CHEMBL293626 | N-Naphthalen-1-ylmethyl-4-sulfamoyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C18H16N2O3S/c19-24(22,23)16-10-8-14(9-11-16)18(21)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,20,21)(H2,19,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.600n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)

More data for this
Ligand-Target Pair