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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: Q3SZX4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 3


(Bos taurus (Cattle))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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PC sid
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Article
PubMed
n/an/a 4.63E+3n/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
PDB

UniProtKB/SwissProt

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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 5.79E+3n/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Bos taurus (Cattle))
BDBM50034172
PNG
(CHEMBL3359227)
Show SMILES C(COc1cc(nc(n1)-c1ccccc1)-c1ccccc1)CN1CCCC1
Show InChI InChI=1S/C23H25N3O/c1-3-10-19(11-4-1)21-18-22(27-17-9-16-26-14-7-8-15-26)25-23(24-21)20-12-5-2-6-13-20/h1-6,10-13,18H,7-9,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.67E+4n/an/an/an/a7.4n/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)


Article DOI: 10.3109/14756366.2011.621122
BindingDB Entry DOI: 10.7270/Q27P8X9X
More data for this
Ligand-Target Pair