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PubMed code 24569110

Compile data set for download or QSAR
Found 11 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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM92625
PNG
(Dimethoxyquinoline, 2)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(Cc5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)
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PDB
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
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n/an/a 1.84E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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n/an/a 2.26E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50449314
PNG
(CHEMBL3125862)
Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50449315
PNG
(CHEMBL3125863)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)s2)cc1F
Show InChI InChI=1S/C21H16F2N4O2S/c22-15-6-5-12(10-16(15)23)9-13-11-24-21(30-13)27-19(28)8-7-18-25-17-4-2-1-3-14(17)20(29)26-18/h1-6,10-11H,7-9H2,(H,24,27,28)(H,25,26,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%