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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase III' and Ligand = 'BDBM50381319'   
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 III


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair