Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM3487' 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
(Gallus gallus (Chicken)) | BDBM3487
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-4-11-32-28-33-18-19-17-22(25-23(30)5-3-6-24(25)31)27(35-26(19)36-28)37-29(40)34-20-7-9-21(41-2)10-8-20/h3,5-10,17-18H,4,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description Inhibition of chicken c-Src tyrosine kinase |
J Med Chem 41: 1752-63 (1998)
Article DOI: 10.1021/jm970634p BindingDB Entry DOI: 10.7270/Q26T0KQ6 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3487
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-4-11-32-28-33-18-19-17-22(25-23(30)5-3-6-24(25)31)27(35-26(19)36-28)37-29(40)34-20-7-9-21(41-2)10-8-20/h3,5-10,17-18H,4,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| 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 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this Ligand-Target Pair | |