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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 = 'BDBM50004259'   
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


(Bos taurus)
BDBM50004259
PNG
(CHEMBL1494785)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:19:23:16.17.22,THB:18:17:23:24.19.20,20:19:16:23.21.22,20:21:16:24.19.18|
Show InChI InChI=1S/C18H23N3O3S2/c19-26(23,24)15-3-1-2-14(7-15)20-17(25)21-16(22)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H2,19,23,24)(H2,20,21,22,25)
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Similars

Article
PubMed
n/an/a 5.58E+3n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.023
BindingDB Entry DOI: 10.7270/Q2PN975X
More data for this
Ligand-Target Pair