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Compile Data Set for Download or QSAR

Found 11727 hits Enz. Inhib. hit(s) with Target = 'Src'   
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 phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24516
PNG
((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+
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PubMed
1.17E+4 -28.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24524
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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1.17E+4 -28.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24523
PNG
((2E,5E)-2-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]im...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O
Show InChI InChI=1S/C24H25N3O3S2/c1-30-18-7-13(2-3-17(18)28)8-19-21(29)26-23(32-19)27-22-25-20(12-31-22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,12,14-16,28H,4-6,9-11H2,1H3,(H,25,26,27,29)/b19-8+
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PubMed
1.23E+4 -28.0n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24526
PNG
((2E,5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylid...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O
Show InChI InChI=1S/C19H14N4O6S2/c1-28-12-5-9(6-13(29-2)16(12)24)7-15-17(25)21-19(31-15)22-18-20-11-4-3-10(23(26)27)8-14(11)30-18/h3-8,24H,1-2H3,(H,20,21,22,25)/b15-7+
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1.29E+4 -27.9n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24527
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-nitro...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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1.62E+4 -27.3n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24525
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-hydro...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O
Show InChI InChI=1S/C19H15N3O4S2/c1-25-12-7-10(8-13(26-2)16(12)23)9-15-17(24)21-19(28-15)22-18-20-11-5-3-4-6-14(11)27-18/h3-9,23H,1-2H3,(H,20,21,22,24)/b15-9+
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1.81E+4 -27.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24529
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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2.28E+4 -26.5n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24515
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O
Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)/b11-7+
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2.56E+4 -26.2n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24528
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-nitro...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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2.87E+4 -25.9n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24521
PNG
((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+
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3.23E+4 -25.6n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24519
PNG
((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+
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5.45E+4 -24.3n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24530
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-hydro...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O
Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-17(23)20-18(25-15)19-16-11-4-2-3-5-14(11)26-21-16/h2-9,22H,1H3,(H,19,20,21,23)/b15-9+
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PubMed
9.08E+4 -23.1n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24522
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C20H15N3O3S2/c1-26-16-9-12(7-8-15(16)24)10-17-18(25)22-20(28-17)23-19-21-14(11-27-19)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,21,22,23,25)/b17-10+
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1.03E+5 -22.8n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24513
PNG
((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)/b10-7+
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3.88E+5 -19.5n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24517
PNG
((2E,5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thia...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)/b10-7+
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4.74E+5 -19.0n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24518
PNG
((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)/b10-7+
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5.48E+5 -18.6n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM24520
PNG
((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)/b10-7+
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1.09E+6 -16.9n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31829
PNG
(RL46 | quinazoline-pyrazolourea hybrid compound, 3...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C32H34N8O2/c1-6-29(41)35-23-14-15-26-25(17-23)30(34-19-33-26)36-21-10-12-22(13-11-21)37-31(42)38-28-18-27(32(3,4)5)39-40(28)24-9-7-8-20(2)16-24/h7-19H,6H2,1-5H3,(H,35,41)(H,33,34,36)(H2,37,38,42)
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PubMed
n/an/a 23n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31830
PNG
(quinazoline-pyrazolourea hybrid compound, 3d)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
Show InChI InChI=1S/C29H28N8O3/c1-18-7-5-10-21(13-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-9-6-8-19(14-20)32-27-23-15-22(37(39)40)11-12-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)
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n/an/an/an/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31831
PNG
(quinazoline-pyrazolourea hybrid compound, 3e)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
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n/an/a 3.68E+4n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13215
PNG
(2-Aminothiazole 1 | 2-amino-4-methyl-N-(2,4,6-trim...)
Show SMILES Cc1nc(N)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C14H17N3OS/c1-7-5-8(2)11(9(3)6-7)17-13(18)12-10(4)16-14(15)19-12/h5-6H,1-4H3,(H2,15,16)(H,17,18)
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n/an/a 5.00E+3n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.400n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13217
PNG
(2-[[(tert-Butyloxy)carbonyl]-amino]-4-methyl-N-(2,...)
Show SMILES Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H25N3O3S/c1-10-8-11(2)14(12(3)9-10)21-16(23)15-13(4)20-17(26-15)22-18(24)25-19(5,6)7/h8-9H,1-7H3,(H,21,23)(H,20,22,24)
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n/an/a 1.50E+3n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13218
PNG
(2-[[(tert-Butyloxy)carbonyl]-amino]-4-methyl-N-(2-...)
Show SMILES Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C17H20ClN3O3S/c1-9-7-6-8-11(18)12(9)20-14(22)13-10(2)19-15(25-13)21-16(23)24-17(3,4)5/h6-8H,1-5H3,(H,20,22)(H,19,21,23)
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n/an/a 2.80E+4n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13219
PNG
(2-[[(tert-Butyloxy)carbonyl]-amino]-4-methyl-N-(2,...)
Show SMILES Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H23N3O3S/c1-10-8-7-9-11(2)13(10)20-15(22)14-12(3)19-16(25-14)21-17(23)24-18(4,5)6/h7-9H,1-6H3,(H,20,22)(H,19,21,23)
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n/an/a 4.40E+3n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13220
PNG
(2-[[(tert-Butyloxy)carbonyl]-amino]-4-methyl-N-(4-...)
Show SMILES Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(Br)cc1C
Show InChI InChI=1S/C18H22BrN3O3S/c1-9-7-12(19)8-10(2)13(9)21-15(23)14-11(3)20-16(26-14)22-17(24)25-18(4,5)6/h7-8H,1-6H3,(H,21,23)(H,20,22,24)
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n/an/a 1.40E+3n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13221
PNG
(BMS-354825 tert-Butoxycarbamate Analog 5e | CHEMBL...)
Show SMILES Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H17Cl2N3O3S/c1-8-12(13(22)20-11-9(17)6-5-7-10(11)18)25-14(19-8)21-15(23)24-16(2,3)4/h5-7H,1-4H3,(H,20,22)(H,19,21,23)
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n/an/a 1.25E+4n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13222
PNG
(2-[[(Methoxy)carbonyl]-amino]-4-methyl-N-(2,4,6-tr...)
Show SMILES COC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19N3O3S/c1-8-6-9(2)12(10(3)7-8)18-14(20)13-11(4)17-15(23-13)19-16(21)22-5/h6-7H,1-5H3,(H,18,20)(H,17,19,21)
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n/an/a 700n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13223
PNG
(2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3...)
Show SMILES CC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19N3O2S/c1-8-6-9(2)13(10(3)7-8)19-15(21)14-11(4)17-16(22-14)18-12(5)20/h6-7H,1-5H3,(H,19,21)(H,17,18,20)
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n/an/a 480n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM13224
PNG
(2-N-benzene-4-methyl-5-N-(2,4,6-trimethylphenyl)-1...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H21N3O2S/c1-12-10-13(2)17(14(3)11-12)23-20(26)18-15(4)22-21(27-18)24-19(25)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,23,26)(H,22,24,25)
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n/an/a 800n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6619
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1
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n/an/a>5.00E+3n/an/an/an/a7.022



Banyu Tsukuba Research Institute



Assay Description
Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31828
PNG
(quinazoline-pyrazolourea hybrid compound, 3b)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C
Show InChI InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
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n/an/a 34n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31827
PNG
(quinazoline-pyrazolourea hybrid compound, 3a)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C
Show InChI InChI=1S/C29H28N8O3/c1-18-6-5-7-21(14-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-10-8-19(9-11-20)32-27-23-15-22(37(39)40)12-13-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)
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n/an/a 101n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 480n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31826
PNG
(4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
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n/an/an/an/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31825
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
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n/an/an/an/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src Mutant (T338M)


(Gallus gallus (Chicken))
BDBM31824
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)
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n/an/a 2.78E+4n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM31831
PNG
(quinazoline-pyrazolourea hybrid compound, 3e)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
Show InChI InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
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n/an/a 235 239n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM31830
PNG
(quinazoline-pyrazolourea hybrid compound, 3d)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
Show InChI InChI=1S/C29H28N8O3/c1-18-7-5-10-21(13-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-9-6-8-19(14-20)32-27-23-15-22(37(39)40)11-12-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)
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n/an/a 207 256n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM31829
PNG
(RL46 | quinazoline-pyrazolourea hybrid compound, 3...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C32H34N8O2/c1-6-29(41)35-23-14-15-26-25(17-23)30(34-19-33-26)36-21-10-12-22(13-11-21)37-31(42)38-28-18-27(32(3,4)5)39-40(28)24-9-7-8-20(2)16-24/h7-19H,6H2,1-5H3,(H,35,41)(H,33,34,36)(H2,37,38,42)
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n/an/a 14 56n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM31828
PNG
(quinazoline-pyrazolourea hybrid compound, 3b)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C
Show InChI InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
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n/an/a 21 73n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Gallus gallus (Chicken))
BDBM31827
PNG
(quinazoline-pyrazolourea hybrid compound, 3a)
Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C
Show InChI InChI=1S/C29H28N8O3/c1-18-6-5-7-21(14-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-10-8-19(9-11-20)32-27-23-15-22(37(39)40)12-13-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)
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n/an/a 71 174n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.400 11n/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Gallus gallus (Chicken))
BDBM31826
PNG
(4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 6.40E+3n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM31825
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
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n/an/a 6.41E+4n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Gallus gallus (Chicken))
BDBM31824
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)
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n/an/a 3.21E+4n/an/an/an/a7.023



Chemical Genomics Centre of the Max Planck Society



Assay Description
IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...


J Med Chem 52: 3915-26 (2009)


Article DOI: 10.1021/jm9002928
BindingDB Entry DOI: 10.7270/Q2VT1QD3
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM6619
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1
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n/an/a 2.30E+3n/an/an/an/a7.022



Banyu Tsukuba Research Institute



Assay Description
Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 3.90E+3n/an/an/an/a7.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...


Chembiochem 8: 179-86 (2007)


Article DOI: 10.1002/cbic.200600287
BindingDB Entry DOI: 10.7270/Q2T72FZ5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM231697
PNG
(RR601)
Show SMILES Oc1cc(cc2c(cccc12)\N=N\c1cccc2c(O)cc(cc12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+
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n/an/a 1.10E+3n/an/an/an/a7.025



Concordia University of Wisconsin



Assay Description
Assays with and without inhibitor were performed in Corning 96-well clear bottom plates having a nonbinding surface, with a total assay volume of 200...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
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14n/an/an/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8476284 (2013)


BindingDB Entry DOI: 10.7270/Q2CJ8C3G
More data for this
Ligand-Target Pair
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