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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50442514'   
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 12


(Homo sapiens (Human))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair