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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P29465   
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
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM50488669
PNG
(CHEMBL1098239)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C19H14O/c20-19(17-7-2-1-3-8-17)13-11-15-10-12-16-6-4-5-9-18(16)14-15/h1-14H/b13-11+
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UniChem
Article
n/an/a 9.42E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Saccharomyces cerevisiae chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM50488672
PNG
(CHEMBL287855)
Show SMILES COc1cccc(\C=C\C(=O)c2ccccc2)c1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-10-6-9-14(17(16)20-2)11-12-15(18)13-7-4-3-5-8-13/h3-12H,1-2H3/b12-11+
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Article
n/an/a 2.98E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Saccharomyces cerevisiae chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM86006
PNG
(Chalcone, 5)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
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MCE
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Article
n/an/a 3.72E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Saccharomyces cerevisiae chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM49759
PNG
((E)-3-(2,4-dimethoxyphenyl)-1-phenyl-2-propen-1-on...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C17H16O3/c1-19-15-10-8-14(17(12-15)20-2)9-11-16(18)13-6-4-3-5-7-13/h3-12H,1-2H3/b11-9+
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Article
n/an/a 3.72E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Saccharomyces cerevisiae chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM152550
PNG
(5'-(N-succinyl)-5'-amino-5'-deoxyuridi...)
Show SMILES COC(=O)CCC(=O)NC[C@H]1O[C@H]([C@@H](O)C1O)n1ccc(=O)[nH]c1=O |r|
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PubMed
n/an/a 8.00E+5n/an/an/an/a7.525



Silesian University of Technology



Assay Description
Assays were performed in 96-wells microtiter plate with flat bottom. To each well of the plate, 100 µL of WGA solution was added at 50 µg/mL. After i...


Bioorg Chem 61: 13-20 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.007
BindingDB Entry DOI: 10.7270/Q2S1817P
More data for this
Ligand-Target Pair
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM50488670
PNG
(CHEMBL2295882)
Show SMILES Clc1ccc(C(=O)\C=C\c2ccco2)c(Cl)c1
Show InChI InChI=1S/C13H8Cl2O2/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-8H/b6-4+
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PC sid
UniChem
Article
n/an/a 8.24E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Saccharomyces cerevisiae chitin synthase


Citation and Details

Article DOI: 10.1007/s00044-012-0177-9
BindingDB Entry DOI: 10.7270/Q21N8422
More data for this
Ligand-Target Pair
Chitin synthase 3


(Saccharomyces cerevisiae (Yeast))
BDBM152551
PNG
(Dimer 15 (15))
Show SMILES OC1[C@@H](CNC(=O)CNC(=O)CCC(=O)NCC(=O)NC[C@H]2O[C@H]([C@@H](O)C2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O |r|
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Article
PubMed
n/an/a 3.00E+6n/an/an/an/a7.525



Silesian University of Technology



Assay Description
Assays were performed in 96-wells microtiter plate with flat bottom. To each well of the plate, 100 µL of WGA solution was added at 50 µg/mL. After i...


Bioorg Chem 61: 13-20 (2015)


Article DOI: 10.1016/j.bioorg.2015.05.007
BindingDB Entry DOI: 10.7270/Q2S1817P
More data for this
Ligand-Target Pair