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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 = 'BDBM50012219'   
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))
BDBM50012219
PNG
(5-[(2-Methoxy-ethylamino)-methyl]-thieno[3,2-b]thi...)
Show SMILES COCCNCc1cc2sc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O3S3/c1-15-3-2-12-6-7-4-8-9(16-7)5-10(17-8)18(11,13)14/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)
PDB
MMDB

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Similars

PubMed
3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human carbonic anhydrase II


J Med Chem 34: 1805-18 (1991)

Checked by Author
BindingDB Entry DOI: 10.7270/Q25D8SFP
More data for this
Ligand-Target Pair