Found 171 hits of kd data for polymerid = 13,1558,3933,50001868 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(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) | PDB MMDB
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| DrugBank PCBioAssay
| n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2057DBF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(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) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a |
High Magnetic Field Laboratory
Curated by ChEMBL
| Assay Description Binding affinity to SRC (unknown origin) |
J Med Chem 59: 1984-2004 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01618 BindingDB Entry DOI: 10.7270/Q26T0PJ6 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(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) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13216
(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) | PDB MMDB
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| n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM50587782
(CHEMBL5209202)Show SMILES CCC(C)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(C)=O)C(=O)N[C@H](Cc1ccc(NC(=O)CCCCCn2cc(nn2)-c2ccc(cc2)-n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc23)cc1)C(=O)NCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](C)C(N)=O |r| | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318 BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM6568
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4552
(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) | PDB MMDB
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| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4552
(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) | PDB MMDB
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| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to T7-tagged Src (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.025 BindingDB Entry DOI: 10.7270/Q21J9FC5 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4552
(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) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
High Magnetic Field Laboratory
Curated by ChEMBL
| Assay Description Binding affinity to SRC (unknown origin) |
J Med Chem 59: 1984-2004 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01618 BindingDB Entry DOI: 10.7270/Q26T0PJ6 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM142598
(US10238658, Example Reference | US10813932, Refere...)Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41) | PDB MMDB
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| US Patent
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Respivert, Ltd.
US Patent
| Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr... |
US Patent US9724347 (2017)
BindingDB Entry DOI: 10.7270/Q2MC923K |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM142598
(US10238658, Example Reference | US10813932, Refere...)Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41) | PDB MMDB
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| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Respivert Limited
US Patent
| Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio... |
US Patent US10813932 (2020)
BindingDB Entry DOI: 10.7270/Q2D79FGT |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM142598
(US10238658, Example Reference | US10813932, Refere...)Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41) | PDB MMDB
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| US Patent
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare Pharmaceuticals Corporation
| Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr... |
J Med Chem 50: 984-1000 (2007)
BindingDB Entry DOI: 10.7270/Q2PG1V1T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 6.30 | 8 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
| Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach. |
Nat Chem Biol 5: 394-6 (2009)
Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM60665
(BDBM50249542 | US9145414, R406 | US9212178, R406)Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM161376
(US10238658, Example 1 | US10813932, Example 1 | US...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43) | PDB MMDB
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| US Patent
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Respivert Limited
US Patent
| Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio... |
US Patent US10813932 (2020)
BindingDB Entry DOI: 10.7270/Q2D79FGT |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM161376
(US10238658, Example 1 | US10813932, Example 1 | US...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43) | PDB MMDB
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| US Patent
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare Pharmaceuticals Corporation
| Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr... |
J Med Chem 50: 984-1000 (2007)
BindingDB Entry DOI: 10.7270/Q2PG1V1T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM161376
(US10238658, Example 1 | US10813932, Example 1 | US...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43) | PDB MMDB
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| US Patent
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Respivert, Ltd.
US Patent
| Assay Description The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr... |
US Patent US9724347 (2017)
BindingDB Entry DOI: 10.7270/Q2MC923K |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM161376
(US10238658, Example 1 | US10813932, Example 1 | US...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43) | PDB MMDB
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| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Respivert, Ltd.
US Patent
| Assay Description The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp... |
US Patent US9108950 (2015)
BindingDB Entry DOI: 10.7270/Q2697293 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM13216
(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) | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 0.400 | 11 | n/a | n/a | n/a | 7.0 | 23 |
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 Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM13216
(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) | PDB MMDB
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Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 0.400 | 11 | n/a | n/a | n/a | n/a | n/a |
Chemical Genomics Centre of the Max Planck Society
| Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach. |
Nat Chem Biol 5: 394-6 (2009)
Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM81374
(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 |c:8,70,73| 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 | PDB MMDB
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| n/a | n/a | n/a | 11 | n/a | n/a | n/a | 7.5 | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM81374
(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 |c:8,70,73| 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 | PDB MMDB
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| n/a | n/a | 25.4 | 13 | n/a | n/a | n/a | 7.5 | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50355504
(CHEMBL1908393)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21| Show InChI InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB MMDB
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| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM31829
(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) | PDB MMDB
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| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | 56 | n/a | n/a | n/a | 7.0 | 23 |
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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB MMDB
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| n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB MMDB
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| n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2057DBF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB MMDB
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| n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM31828
(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) | PDB MMDB
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| n/a | n/a | 21 | 73 | n/a | n/a | n/a | 7.0 | 23 |
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 Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50332294
(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50331096
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7...)Show SMILES COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3 | PDB MMDB
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| n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM31096
(CHEMBL290084 | Staurosporine | cid_451705)Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2057DBF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50101077
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Dissociation constant against Src protein tryrosine kinase SH2 domain |
Bioorg Med Chem Lett 15: 4994-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.005 BindingDB Entry DOI: 10.7270/Q2W37VWC |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Average Binding Constant for SRC; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50101077
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1 | PDB MMDB
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| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Src SH2 domain |
Bioorg Med Chem Lett 9: 2353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2JS9QZ5 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB MMDB
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| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Average Binding Constant for SRC; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB MMDB
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| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM21
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Average Binding Constant for SRC; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB MMDB
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| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2057DBF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB MMDB
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| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM31827
(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) | PDB MMDB
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| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | 174 | n/a | n/a | n/a | 7.0 | 23 |
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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) | PDB MMDB
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| n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM31831
(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) | PDB MMDB
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| MMDB PC cid PC sid PDB UniChem
Similars
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| n/a | n/a | 235 | 239 | n/a | n/a | n/a | 7.0 | 23 |
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 | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM31830
(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) | PDB MMDB
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| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 207 | 256 | n/a | n/a | n/a | 7.0 | 23 |
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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB MMDB
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| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2057DBF |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB MMDB
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| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for SRC kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Gallus gallus (Chicken)) | BDBM50142887
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19) | PDB MMDB
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| n/a | n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113318 BindingDB Entry DOI: 10.7270/Q25Q5115 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM324284
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1 | PDB MMDB
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| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type human partial length SRC (L240 to L536 residues) expressed in bacterial expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C |
More data for this Ligand-Target Pair | |