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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 = 'BDBM50377332'   
Target
(Institution)
LigandTarget
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))
BDBM50377332
PNG
(CHEMBL436648)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=S)Nc1ccc(cc1Cl)S(N)(=O)=O |^1:10|
Show InChI InChI=1S/C16H24ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 3475-80 (2008)

More data for this
Ligand-Target Pair