Found 5 hits 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
(279/279 = 100%)†
(Homo sapiens (Human)) | BDBM50314074
(2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...)Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
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CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | 7.4 | 4 |
ARIAD Pharmaceuticals
| Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR... |
Chem Biol Drug Des 67: 46-57 (2006)
Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(279/279 = 100%)†
(Homo sapiens (Human)) | BDBM50314074
(2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...)Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 6x-His-tagged human Src kinase domain (T250 to L536 residues) expressed in Sf9 cells incubated for 2 hrs in presence of biotinylated cd... |
J Med Chem 59: 4948-64 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(279/279 = 100%)†
(Homo sapiens (Human)) | BDBM50314074
(2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...)Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lille
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Eur J Med Chem 45: 5678-84 (2010)
Article DOI: 10.1016/j.ejmech.2010.09.022
BindingDB Entry DOI: 10.7270/Q2B27Z30 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(279/279 = 100%)†
(Homo sapiens (Human)) | BDBM50314074
(2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...)Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of SRC |
J Med Chem 53: 2681-94 (2010)
Article DOI: 10.1021/jm901443h
BindingDB Entry DOI: 10.7270/Q2XP75W8 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(279/279 = 100%)†
(Homo sapiens (Human)) | BDBM50314074
(2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...)Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of SRC |
ACS Med Chem Lett 3: 94-99 (2012)
Article DOI: 10.1021/ml200222u
BindingDB Entry DOI: 10.7270/Q2319WZM |
More data for this
Ligand-Target Pair | |
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