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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 = 'BDBM50028554'   
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))
BDBM50028554
PNG
(CHEMBL3342493)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H20BrN5O2S2/c1-15-2-8-19(9-3-15)31-23(27)22-21(16-4-6-17(26)7-5-16)14-30(24(22)29-25(31)34)18-10-12-20(13-11-18)35(28,32)33/h2-14,27H,1H3,(H,29,34)(H2,28,32,33)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
8.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair