Found 12 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM12255
(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) | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM12255
(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) | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
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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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| DrugBank Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
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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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50267546
((S)-N-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)-7...)Show SMILES COCCOc1cc2ncnc(Nc3c4OCOc4ccc3Cl)c2cc1NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C23H24ClN5O5/c1-31-7-8-32-19-10-16-13(9-17(19)28-23(30)15-3-2-6-25-15)22(27-11-26-16)29-20-14(24)4-5-18-21(20)34-12-33-18/h4-5,9-11,15,25H,2-3,6-8,12H2,1H3,(H,28,30)(H,26,27,29)/t15-/m0/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50267618
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-metho...)Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-31-7-8-32-20-11-18-14(10-19(20)29-22(30)17-3-2-6-25-17)21(27-12-26-18)28-13-4-5-16(24)15(23)9-13/h4-5,9-12,17,25H,2-3,6-8H2,1H3,(H,29,30)(H,26,27,28)/t17-/m0/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(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
NCI pathway Reactome pathway KEGG
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM12255
(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) | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(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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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50267546
((S)-N-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)-7...)Show SMILES COCCOc1cc2ncnc(Nc3c4OCOc4ccc3Cl)c2cc1NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C23H24ClN5O5/c1-31-7-8-32-19-10-16-13(9-17(19)28-23(30)15-3-2-6-25-15)22(27-11-26-16)29-20-14(24)4-5-18-21(20)34-12-33-18/h4-5,9-11,15,25H,2-3,6-8,12H2,1H3,(H,28,30)(H,26,27,29)/t15-/m0/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of EGFR (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM12255
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Bioorg Med Chem 17: 3152-61 (2009)
Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T |
More data for this Ligand-Target Pair | |