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PubMed code 29730188

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50405916
PNG
(CHEMBL4169245)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccccc2COc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H34O5S/c1-2-3-4-9-14-26(23,24)15-17-16(18-12-13-19(17)25-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5-
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Article
PubMed
n/an/a 4.41E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB4 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50405914
PNG
(CHEMBL4162777)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(COc3cccc(c3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C15H24O3S/c1-19-10-12-11(13-8-9-14(12)18-13)6-4-2-3-5-7-15(16)17/h2,4,11-14H,3,5-10H2,1H3,(H,16,17)/b4-2-
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PubMed
n/an/a 5.06E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB4 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50405915
PNG
(CHEMBL4173044)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2cccc3Sc4ccccc4Sc23)c1
Show InChI InChI=1S/C22H30O4S/c23-22(24)11-7-2-1-6-10-18-19(21-13-12-20(18)26-21)16-27-15-14-25-17-8-4-3-5-9-17/h1,3-6,8-9,18-21H,2,7,10-16H2,(H,23,24)/b6-1-
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PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB4 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50405918
PNG
(CHEMBL4162362)
Show SMILES COCCc1ccc(OCc2ccc(cc2)-c2cc(cc(c2)S(=O)(=O)NCCc2cccc(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H26O3S2/c1-20-11-21-10-13-12(14-8-9-15(13)19-14)6-4-2-3-5-7-16(17)18/h2,4,12-15H,3,5-11H2,1H3,(H,17,18)/b4-2-
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PubMed
n/an/a 6.43E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB4 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50405917
PNG
(CHEMBL4161318)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(s2)-c2cccs2)c1
Show InChI InChI=1S/C20H34O4S/c1-2-3-4-9-14-25(23)15-17-16(18-12-13-19(17)24-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5-
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PubMed
n/an/a 8.05E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB4 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50405916
PNG
(CHEMBL4169245)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccccc2COc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H34O5S/c1-2-3-4-9-14-26(23,24)15-17-16(18-12-13-19(17)25-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5-
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PubMed
n/an/a 9.71E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB2 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50405915
PNG
(CHEMBL4173044)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2cccc3Sc4ccccc4Sc23)c1
Show InChI InChI=1S/C22H30O4S/c23-22(24)11-7-2-1-6-10-18-19(21-13-12-20(18)26-21)16-27-15-14-25-17-8-4-3-5-9-17/h1,3-6,8-9,18-21H,2,7,10-16H2,(H,23,24)/b6-1-
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PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB2 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50405914
PNG
(CHEMBL4162777)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(COc3cccc(c3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C15H24O3S/c1-19-10-12-11(13-8-9-14(12)18-13)6-4-2-3-5-7-15(16)17/h2,4,11-14H,3,5-10H2,1H3,(H,16,17)/b4-2-
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB2 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50405918
PNG
(CHEMBL4162362)
Show SMILES COCCc1ccc(OCc2ccc(cc2)-c2cc(cc(c2)S(=O)(=O)NCCc2cccc(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H26O3S2/c1-20-11-21-10-13-12(14-8-9-15(13)19-14)6-4-2-3-5-7-16(17)18/h2,4,12-15H,3,5-11H2,1H3,(H,17,18)/b4-2-
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PubMed
n/an/a 2.54E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB2 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50405917
PNG
(CHEMBL4161318)
Show SMILES Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(s2)-c2cccs2)c1
Show InChI InChI=1S/C20H34O4S/c1-2-3-4-9-14-25(23)15-17-16(18-12-13-19(17)24-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5-
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Article
PubMed
n/an/a 3.15E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused erbB2 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in...


Eur J Med Chem 152: 253-263 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.018
BindingDB Entry DOI: 10.7270/Q2XW4NC8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%