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Compile Data Set for Download or QSAR

Found 38 hits of ph data 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
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))
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


(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))
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))
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))
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))
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))
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))
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


(Homo sapiens (human))
BDBM14678
PNG
((phenylmethanediyl)bis(phosphonic acid) | Fragment...)
Show SMILES OP(O)(=O)C(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
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n/an/a 3.90E+6n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14679
PNG
(2-formyl-6-methoxyphenoxyphosphonic acid | 2-formy...)
Show SMILES COc1cccc(C=O)c1OP(O)(O)=O
Show InChI InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
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n/an/a 9.00E+5n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14680
PNG
(2-formylphenoxyphosphonic acid | 2-formylphenyl di...)
Show SMILES OP(O)(=O)Oc1ccccc1C=O
Show InChI InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)
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n/an/a 3.00E+5n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14681
PNG
(2,6-diformyl-4-methylphenoxyphosphonic acid | 2,6-...)
Show SMILES Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1
Show InChI InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)
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n/an/a 5.00E+5n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14677
PNG
(2-phenyl-2-sulfoacetic acid | CHEMBL80333 | Fragme...)
Show SMILES OC(=O)C(c1ccccc1)S(O)(=O)=O
Show InChI InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
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n/an/a 3.20E+6n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14676
PNG
(2-phenylpropanedioic acid | CHEMBL78794 | Fragment...)
Show SMILES OC(=O)C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
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n/an/a 2.50E+6n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14675
PNG
(CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...)
Show SMILES OP(O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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n/an/a 3.50E+6n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14674
PNG
(Fragment 4 | Oxalic Acid)
Show SMILES OC(=O)C(O)=O
Show InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
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n/an/a>4.00E+7n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14683
PNG
(CHEMBL286758 | DPI59 | Fragment 13 | [hydroxy(1-na...)
Show SMILES OP(O)(O)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13-16H
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n/an/a>5.00E+6n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Src


(Homo sapiens (human))
BDBM14684
PNG
(2-cyanoquinolin-8-yl dihydrogen phosphate | Fragme...)
Show SMILES OP(O)(=O)Oc1cccc2ccc(nc12)C#N
Show InChI InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15)
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n/an/a 3.60E+6n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14671
PNG
(Fragment 1 | Phosphate | phosphoric acid)
Show SMILES OP(O)(O)=O
Show InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
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n/an/a>4.00E+7n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
Src


(Homo sapiens (human))
BDBM14682
PNG
((1,2,3,4-tetrahydroquinolin-8-yloxy)phosphonic aci...)
Show SMILES OP(O)(=O)Oc1cccc2CCCNc12
Show InChI InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
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n/an/a 3.00E+5n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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n/an/a>4.00E+7n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14672
PNG
(2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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n/an/a>4.00E+7n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Gallus gallus (Chicken))
BDBM81375
PNG
(Amine compound, 12a)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Show InChI InChI=1S/C41H46F3N9O7/c1-28-7-8-32(50-39(55)29-4-2-5-30(24-29)41(42,43)44)25-35(28)52-37-34(6-3-14-47-37)38-48-27-49-40(53-38)51-31-9-11-33(12-10-31)60-17-15-46-36(54)26-59-23-22-58-21-20-57-19-18-56-16-13-45/h2-12,14,24-25,27H,13,15-23,26,45H2,1H3,(H,46,54)(H,47,52)(H,50,55)(H,48,49,51,53)
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n/an/a 3.30n/an/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM81374
PNG
(BODIPY-labeled probe, 4a)
Show SMILES Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12
Show InChI InChI=1S/C50H49BF5N11O4/c1-31-12-13-37(62-48(70)34-8-6-9-35(27-34)50(52,53)54)28-42(31)64-46-41(10-7-23-59-46)47-60-30-61-49(65-47)63-36-14-19-40(20-15-36)71-25-24-58-44(68)11-4-5-22-57-45(69)21-18-38-16-17-39-29-43-32(2)26-33(3)66(43)51(55,56)67(38)39/h6-10,12-17,19-20,23,26-30H,4-5,11,18,21-22,24-25H2,1-3H3,(H,57,69)(H,58,68)(H,59,64)(H,62,70)(H,60,61,63,65)/q+1
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n/an/an/a 11n/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM81374
PNG
(BODIPY-labeled probe, 4a)
Show SMILES Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12
Show InChI InChI=1S/C50H49BF5N11O4/c1-31-12-13-37(62-48(70)34-8-6-9-35(27-34)50(52,53)54)28-42(31)64-46-41(10-7-23-59-46)47-60-30-61-49(65-47)63-36-14-19-40(20-15-36)71-25-24-58-44(68)11-4-5-22-57-45(69)21-18-38-16-17-39-29-43-32(2)26-33(3)66(43)51(55,56)67(38)39/h6-10,12-17,19-20,23,26-30H,4-5,11,18,21-22,24-25H2,1-3H3,(H,57,69)(H,58,68)(H,59,64)(H,62,70)(H,60,61,63,65)/q+1
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n/an/a 25.4 13n/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4026
PNG
(2-{[5-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-...)
Show SMILES CC(=O)Oc1ccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4cc(OC(C)=O)ccc4n3C)c(C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C36H30N4O6S2/c1-21(41)45-25-15-17-29-27(19-25)31(33(43)37-23-11-7-5-8-12-23)35(39(29)3)47-48-36-32(34(44)38-24-13-9-6-10-14-24)28-20-26(46-22(2)42)16-18-30(28)40(36)4/h5-20H,1-4H3,(H,37,43)(H,38,44)
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n/an/a 7.70E+3n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4025
PNG
(5-methoxy-2-{[5-methoxy-1-methyl-3-(phenylcarbamoy...)
Show SMILES COc1ccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4cc(OC)ccc4n3C)c(C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C34H30N4O4S2/c1-37-27-17-15-23(41-3)19-25(27)29(31(39)35-21-11-7-5-8-12-21)33(37)43-44-34-30(32(40)36-22-13-9-6-10-14-22)26-20-24(42-4)16-18-28(26)38(34)2/h5-20H,1-4H3,(H,35,39)(H,36,40)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4024
PNG
(2-{[1,5-dimethyl-3-(phenylcarbamoyl)-1H-indol-2-yl...)
Show SMILES Cc1ccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4cc(C)ccc4n3C)c(C(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C34H30N4O2S2/c1-21-15-17-27-25(19-21)29(31(39)35-23-11-7-5-8-12-23)33(37(27)3)41-42-34-30(32(40)36-24-13-9-6-10-14-24)26-20-22(2)16-18-28(26)38(34)4/h5-20H,1-4H3,(H,35,39)(H,36,40)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4023
PNG
(5-bromo-2-{[5-bromo-1-methyl-3-(phenylcarbamoyl)-1...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Br)ccc12
Show InChI InChI=1S/C32H24Br2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40)
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n/an/a 1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4022
PNG
(5-chloro-2-{[5-chloro-1-methyl-3-(phenylcarbamoyl)...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Cl)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C32H24Cl2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4021
PNG
(5-fluoro-2-{[5-fluoro-1-methyl-3-(phenylcarbamoyl)...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(F)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(F)ccc12
Show InChI InChI=1S/C32H24F2N4O2S2/c1-37-25-15-13-19(33)17-23(25)27(29(39)35-21-9-5-3-6-10-21)31(37)41-42-32-28(30(40)36-22-11-7-4-8-12-22)24-18-20(34)14-16-26(24)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40)
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n/an/a 6.00E+3n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4020
PNG
(2-{[4-(acetyloxy)-1-methyl-3-(phenylcarbamoyl)-1H-...)
Show SMILES CC(=O)Oc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC(C)=O)cccc4n3C)c(C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C36H30N4O6S2/c1-21(41)45-27-19-11-17-25-29(27)31(33(43)37-23-13-7-5-8-14-23)35(39(25)3)47-48-36-32(34(44)38-24-15-9-6-10-16-24)30-26(40(36)4)18-12-20-28(30)46-22(2)42/h5-20H,1-4H3,(H,37,43)(H,38,44)
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n/an/a 650n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4019
PNG
(4-methoxy-2-{[4-methoxy-1-methyl-3-(phenylcarbamoy...)
Show SMILES COc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC)cccc4n3C)c(C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C34H30N4O4S2/c1-37-23-17-11-19-25(41-3)27(23)29(31(39)35-21-13-7-5-8-14-21)33(37)43-44-34-30(32(40)36-22-15-9-6-10-16-22)28-24(38(34)2)18-12-20-26(28)42-4/h5-20H,1-4H3,(H,35,39)(H,36,40)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4018
PNG
(2-{[1,4-dimethyl-3-(phenylcarbamoyl)-1H-indol-2-yl...)
Show SMILES Cc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(C)cccc4n3C)c(C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C34H30N4O2S2/c1-21-13-11-19-25-27(21)29(31(39)35-23-15-7-5-8-16-23)33(37(25)3)41-42-34-30(32(40)36-24-17-9-6-10-18-24)28-22(2)14-12-20-26(28)38(34)4/h5-20H,1-4H3,(H,35,39)(H,36,40)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Gallus gallus (Chicken))
BDBM81376
PNG
(Amine compound, 13a)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
Show InChI InChI=1S/C42H47F3N8O7/c1-29-7-8-33(52-41(55)30-4-2-5-31(24-30)42(43,44)45)25-36(29)53-40-35(6-3-14-48-40)37-26-38(50-28-49-37)51-32-9-11-34(12-10-32)60-17-15-47-39(54)27-59-23-22-58-21-20-57-19-18-56-16-13-46/h2-12,14,24-26,28H,13,15-23,27,46H2,1H3,(H,47,54)(H,48,53)(H,52,55)(H,49,50,51)
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n/an/a 5.70n/an/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4016
PNG
(1-methyl-2-{[1-methyl-3-(phenylcarbamoyl)-1H-indol...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccccc3n2C)c(C(=O)Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C32H26N4O2S2/c1-35-25-19-11-9-17-23(25)27(29(37)33-21-13-5-3-6-14-21)31(35)39-40-32-28(24-18-10-12-20-26(24)36(32)2)30(38)34-22-15-7-4-8-16-22/h3-20H,1-2H3,(H,33,37)(H,34,38)
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n/an/a 3.20E+3n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair
Src


(Avian sarcoma virus)
BDBM4017
PNG
(4-chloro-2-{[4-chloro-1-methyl-3-(phenylcarbamoyl)...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccccc3)c3c(Cl)cccc3n2C)c(C(=O)Nc2ccccc2)c2c(Cl)cccc12
Show InChI InChI=1S/C32H24Cl2N4O2S2/c1-37-23-17-9-15-21(33)25(23)27(29(39)35-19-11-5-3-6-12-19)31(37)41-42-32-28(30(40)36-20-13-7-4-8-14-20)26-22(34)16-10-18-24(26)38(32)2/h3-18H,1-2H3,(H,35,39)(H,36,40)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 37: 2033-42 (1994)


Article DOI: 10.1021/jm00039a016
BindingDB Entry DOI: 10.7270/Q2H41PMC
More data for this
Ligand-Target Pair