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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50033263   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6471
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H26Cl2N4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.460n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM8
PNG
((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
Show SMILES OC1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6?/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM12255
PNG
(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)
Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50303801
PNG
(CHEMBL571546 | N-benzyl-2-(5-(4-(2-morpholinoethox...)
Show SMILES O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)
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n/an/a 20n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342390
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-4-phenylthi...)
Show SMILES CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(sc2n1)C(=O)N\N=C\c1cncn1C
Show InChI InChI=1S/C23H26N8OS/c1-30(2)10-9-26-18-11-17(15-7-5-4-6-8-15)19-20(24)21(33-23(19)28-18)22(32)29-27-13-16-12-25-14-31(16)3/h4-8,11-14H,9-10,24H2,1-3H3,(H,26,28)(H,29,32)/b27-13+
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n/an/a 32n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342392
PNG
(3-Amino-4-benzyl-6-(2-dimethylamino-ethylamino)-th...)
Show SMILES CN(C)CCNc1cc(Cc2ccccc2)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccn1C
Show InChI InChI=1S/C25H29N7OS/c1-31(2)13-11-27-20-15-18(14-17-8-5-4-6-9-17)21-22(26)23(34-25(21)29-20)24(33)30-28-16-19-10-7-12-32(19)3/h4-10,12,15-16H,11,13-14,26H2,1-3H3,(H,27,29)(H,30,33)/b28-16+
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n/an/a 40n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342393
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-4-propylthi...)
Show SMILES CCCc1cc(NCCN(C)C)nc2sc(C(=O)N\N=C\c3cccn3C)c(N)c12
Show InChI InChI=1S/C21H29N7OS/c1-5-7-14-12-16(23-9-11-27(2)3)25-21-17(14)18(22)19(30-21)20(29)26-24-13-15-8-6-10-28(15)4/h6,8,10,12-13H,5,7,9,11,22H2,1-4H3,(H,23,25)(H,26,29)/b24-13+
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n/an/a 63n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342391
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-4-phenylthi...)
Show SMILES CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccn1C
Show InChI InChI=1S/C24H27N7OS/c1-30(2)13-11-26-19-14-18(16-8-5-4-6-9-16)20-21(25)22(33-24(20)28-19)23(32)29-27-15-17-10-7-12-31(17)3/h4-10,12,14-15H,11,13,25H2,1-3H3,(H,26,28)(H,29,32)/b27-15+
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n/an/a 68n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342389
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-4-phenylthi...)
Show SMILES CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccc2ccccc12
Show InChI InChI=1S/C29H28N6OS/c1-35(2)16-15-31-24-17-23(20-9-4-3-5-10-20)25-26(30)27(37-29(25)33-24)28(36)34-32-18-21-13-8-12-19-11-6-7-14-22(19)21/h3-14,17-18H,15-16,30H2,1-2H3,(H,31,33)(H,34,36)/b32-18+
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n/an/a 107n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342387
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-4-methylthi...)
Show SMILES CN(C)CCNc1cc(C)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccc2ccccc12
Show InChI InChI=1S/C24H26N6OS/c1-15-13-19(26-11-12-30(2)3)28-24-20(15)21(25)22(32-24)23(31)29-27-14-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,13-14H,11-12,25H2,1-3H3,(H,26,28)(H,29,31)/b27-14+
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n/an/a 230n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342388
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-4-methylthi...)
Show SMILES CN(C)CCNc1cc(C)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccn1C
Show InChI InChI=1S/C19H25N7OS/c1-12-10-14(21-7-9-25(2)3)23-19-15(12)16(20)17(28-19)18(27)24-22-11-13-6-5-8-26(13)4/h5-6,8,10-11H,7,9,20H2,1-4H3,(H,21,23)(H,24,27)/b22-11+
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n/an/a 246n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342379
PNG
(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbo...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccc2ccccc12
Show InChI InChI=1S/C21H18N4OS/c1-12-10-13(2)24-21-17(12)18(22)19(27-21)20(26)25-23-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,22H2,1-2H3,(H,25,26)/b23-11+
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n/an/a 269n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342386
PNG
(3-Amino-4-methyl-6-trifluoromethyl-thieno[2,3-b]py...)
Show SMILES Cc1cc(nc2sc(C(=O)N\N=C\c3cncn3C)c(N)c12)C(F)(F)F
Show InChI InChI=1S/C15H13F3N6OS/c1-7-3-9(15(16,17)18)22-14-10(7)11(19)12(26-14)13(25)23-21-5-8-4-20-6-24(8)2/h3-6H,19H2,1-2H3,(H,23,25)/b21-5+
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n/an/a 330n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342381
PNG
(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbo...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)N\N=C\c1cncn1C
Show InChI InChI=1S/C15H16N6OS/c1-8-4-9(2)19-15-11(8)12(16)13(23-15)14(22)20-18-6-10-5-17-7-21(10)3/h4-7H,16H2,1-3H3,(H,20,22)/b18-6+
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n/an/a 769n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342384
PNG
(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbo...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccn1C
Show InChI InChI=1S/C16H17N5OS/c1-9-7-10(2)19-16-12(9)13(17)14(23-16)15(22)20-18-8-11-5-4-6-21(11)3/h4-8H,17H2,1-3H3,(H,20,22)/b18-8+
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n/an/a 840n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342382
PNG
(3-Amino-thieno[2,3-b]pyridine-2-carboxylic acid(3-...)
Show SMILES Cn1cncc1\C=N\NC(=O)c1sc2ncccc2c1N
Show InChI InChI=1S/C13H12N6OS/c1-19-7-15-5-8(19)6-17-18-12(20)11-10(14)9-3-2-4-16-13(9)21-11/h2-7H,14H2,1H3,(H,18,20)/b17-6+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342385
PNG
(3-Amino-4-methyl-6-trifluoromethyl-thieno[2,3-b]py...)
Show SMILES Cc1cc(nc2sc(C(=O)N\N=C\c3cccc4ccccc34)c(N)c12)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4OS/c1-11-9-15(21(22,23)24)27-20-16(11)17(25)18(30-20)19(29)28-26-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,25H2,1H3,(H,28,29)/b26-10+
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n/an/a 1.34E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342395
PNG
(3-Amino-6-(2-dimethylamino-ethylamino)-5-propylthi...)
Show SMILES CCCc1cc2c(N)c(sc2nc1NCCN(C)C)C(=O)N\N=C\c1cccn1C
Show InChI InChI=1S/C21H29N7OS/c1-5-7-14-12-16-17(22)18(20(29)26-24-13-15-8-6-10-28(15)4)30-21(16)25-19(14)23-9-11-27(2)3/h6,8,10,12-13H,5,7,9,11,22H2,1-4H3,(H,23,25)(H,26,29)/b24-13+
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PubMed
n/an/a 2.08E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342394
PNG
(3-Amino-5-benzyl-6-(2-dimethylamino-ethylamino)-th...)
Show SMILES CN(C)CCNc1nc2sc(C(=O)N\N=C\c3cccn3C)c(N)c2cc1Cc1ccccc1
Show InChI InChI=1S/C25H29N7OS/c1-31(2)13-11-27-23-18(14-17-8-5-4-6-9-17)15-20-21(26)22(34-25(20)29-23)24(33)30-28-16-19-10-7-12-32(19)3/h4-10,12,15-16H,11,13-14,26H2,1-3H3,(H,27,29)(H,30,33)/b28-16+
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n/an/a 3.87E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342383
PNG
(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbo...)
Show SMILES CN(C)CCn1cccc1\C=N\NC(=O)c1sc2nc(C)cc(C)c2c1N
Show InChI InChI=1S/C19H24N6OS/c1-12-10-13(2)22-19-15(12)16(20)17(27-19)18(26)23-21-11-14-6-5-7-25(14)9-8-24(3)4/h5-7,10-11H,8-9,20H2,1-4H3,(H,23,26)/b21-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50342380
PNG
(3-Amino-thieno[2,3-b]pyridine-2-carboxylic acid na...)
Show SMILES Nc1c(sc2ncccc12)C(=O)N\N=C\c1cccc2ccccc12
Show InChI InChI=1S/C19H14N4OS/c20-16-15-9-4-10-21-19(15)25-17(16)18(24)23-22-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,20H2,(H,23,24)/b22-11+
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair