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PubMed code 23151054

Compile data set for download or QSAR
Found 15 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))		BDBM50400044
PNG
(CHEMBL2177726 | US9169259, I-54)
Show SMILES COc1ccc(Nc2cc(nn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC
Show InChI InChI=1S/C27H22N6O5/c1-37-22-10-11-23(31-26(22)38-2)30-21-15-20(32-33-13-12-28-24(21)33)17-4-3-5-18(14-17)25(34)29-19-8-6-16(7-9-19)27(35)36/h3-15H,1-2H3,(H,29,34)(H,30,31)(H,35,36)
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736 | US9579320, Example 87)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400045
PNG
(CHEMBL2177725)
Show SMILES COc1ccc(Nc2cc(cn3ncnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC
Show InChI InChI=1S/C27H22N6O5/c1-37-22-10-11-23(32-26(22)38-2)31-21-13-19(14-33-24(21)28-15-29-33)17-4-3-5-18(12-17)25(34)30-20-8-6-16(7-9-20)27(35)36/h3-15H,1-2H3,(H,30,34)(H,31,32)(H,35,36)
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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400046
PNG
(CHEMBL2177737)
Show SMILES COc1ccc(Nc2nc(nc3scnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C27H21N5O5S/c1-36-20-11-10-19(13-21(20)37-2)29-24-22-26(38-14-28-22)32-23(31-24)16-4-3-5-17(12-16)25(33)30-18-8-6-15(7-9-18)27(34)35/h3-14H,1-2H3,(H,30,33)(H,34,35)(H,29,31,32)
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400035
PNG
(CHEMBL2177735 | US9169259, I-84)
Show SMILES CC1CCCN1c1cccc(Nc2cc(nn3ccnc23)-c2cccc(CN)c2)n1
Show InChI InChI=1S/C23H25N7/c1-16-5-4-11-29(16)22-9-3-8-21(27-22)26-20-14-19(28-30-12-10-25-23(20)30)18-7-2-6-17(13-18)15-24/h2-3,6-10,12-14,16H,4-5,11,15,24H2,1H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400034
PNG
(FOSTAMATINIB DISODIUM | R788 SODIUM | R935788 SODI...)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP([O-])([O-])=O)c4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)/p-2
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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400036
PNG
(CHEMBL2177734 | US9169259, I-68)
Show SMILES CC1CCCN1c1cccc(Nc2cc(nn3ccnc23)-c2cccc(CO)c2)n1
Show InChI InChI=1S/C23H24N6O/c1-16-5-4-11-28(16)22-9-3-8-21(26-22)25-20-14-19(27-29-12-10-24-23(20)29)18-7-2-6-17(13-18)15-30/h2-3,6-10,12-14,16,30H,4-5,11,15H2,1H3,(H,25,26)
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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400040
PNG
(CHEMBL2177730)
Show SMILES COc1ccc(Nc2nc(nc3scnc23)N2CCC(C2)NC(=O)c2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C25H24N6O5S/c1-35-18-8-7-16(11-19(18)36-2)27-21-20-23(37-13-26-20)30-25(29-21)31-10-9-17(12-31)28-22(32)14-3-5-15(6-4-14)24(33)34/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,28,32)(H,33,34)(H,27,29,30)
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n/an/a 47n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400043
PNG
(CHEMBL2177727)
Show SMILES COc1ccc(Nc2nc(nc3scnc23)N2CCCC(C2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C26H26N6O5S/c1-36-19-10-9-18(12-20(19)37-2)28-22-21-24(38-14-27-21)31-26(30-22)32-11-3-4-16(13-32)23(33)29-17-7-5-15(6-8-17)25(34)35/h5-10,12,14,16H,3-4,11,13H2,1-2H3,(H,29,33)(H,34,35)(H,28,30,31)
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n/an/a 50n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400042
PNG
(CHEMBL2177728)
Show SMILES COc1ccc(Nc2nc(nc3scnc23)N2CCC(C2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C25H24N6O5S/c1-35-18-8-7-17(11-19(18)36-2)27-21-20-23(37-13-26-20)30-25(29-21)31-10-9-15(12-31)22(32)28-16-5-3-14(4-6-16)24(33)34/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,28,32)(H,33,34)(H,27,29,30)
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n/an/a 93n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400037
PNG
(CHEMBL2177733 | US9169259, I-5)
Show SMILES CC1CCCN1c1cccc(Nc2cc(nn3ccnc23)-c2ccccc2)n1
Show InChI InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)
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n/an/a 127n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400038
PNG
(CHEMBL2177732 | US9169259, I-4)
Show SMILES C1CCN(C1)c1cccc(Nc2cc(nn3ccnc23)-c2ccccc2)n1
Show InChI InChI=1S/C21H20N6/c1-2-7-16(8-3-1)17-15-18(21-22-11-14-27(21)25-17)23-19-9-6-10-20(24-19)26-12-4-5-13-26/h1-3,6-11,14-15H,4-5,12-13H2,(H,23,24)
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n/an/a 351n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400039
PNG
(CHEMBL2177731 | US9169259, I-3)
Show SMILES C1CCN(CC1)c1cccc(Nc2cc(nn3ccnc23)-c2ccccc2)n1
Show InChI InChI=1S/C22H22N6/c1-3-8-17(9-4-1)18-16-19(22-23-12-15-28(22)26-18)24-20-10-7-11-21(25-20)27-13-5-2-6-14-27/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,24,25)
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n/an/a 406n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50400041
PNG
(CHEMBL2177729)
Show SMILES COc1ccc(Nc2nc(nc3scnc23)N2CCCC(C2)NC(=O)c2ccc(cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C26H26N6O5S/c1-36-19-10-9-17(12-20(19)37-2)28-22-21-24(38-14-27-21)31-26(30-22)32-11-3-4-18(13-32)29-23(33)15-5-7-16(8-6-15)25(34)35/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,29,33)(H,34,35)(H,28,30,31)
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n/an/a 423n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50400034
PNG
(FOSTAMATINIB DISODIUM | R788 SODIUM | R935788 SODI...)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP([O-])([O-])=O)c4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)/p-2
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n/an/an/a 70n/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 2

J Med Chem 55: 10414-23 (2012)


Article DOI: 10.1021/jm301367c
BindingDB Entry DOI: 10.7270/Q2057H23
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%