Found 7 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)) | BDBM50132351
(({4-[6-(2,6-Dichloro-phenyl)-8-(3-dimethylamino-pr...)Show SMILES CN(C)CCCn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.9,-7.22,;3.9,-5.68,;2.57,-4.91,;5.23,-4.91,;5.23,-3.37,;6.56,-2.59,;6.56,-1.05,;5.21,-.28,;3.88,-1.05,;2.55,-.29,;1.22,-1.06,;-.11,-.29,;-.11,1.25,;-1.44,2.01,;-2.78,1.23,;-2.77,-.31,;-1.44,-1.07,;-4.12,2,;-4.89,.67,;-3.35,3.34,;-5.45,2.77,;-5.45,4.31,;-6.99,4.32,;-5.86,5.8,;-4.12,5.09,;2.55,1.26,;3.88,2.03,;5.21,1.26,;6.54,2.03,;7.89,1.25,;9.22,2.02,;9.22,3.57,;7.89,4.33,;10.55,4.36,;11.88,3.57,;11.88,2.02,;10.55,1.25,;10.55,-.29,;7.89,-.28,;9.22,-1.05,)| Show InChI InChI=1S/C25H27Cl2N5O6P2/c1-31(2)11-4-12-32-23-16(13-19(24(32)33)22-20(26)5-3-6-21(22)27)14-28-25(30-23)29-17-7-9-18(10-8-17)39(34,35)15-40(36,37)38/h3,5-10,13-14H,4,11-12,15H2,1-2H3,(H,34,35)(H,28,29,30)(H2,36,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50132348
(({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)Show SMILES Cn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.94,-2.74,;3.93,-1.2,;2.6,-.43,;1.27,-1.2,;-.06,-.43,;-1.39,-1.21,;-2.73,-.45,;-2.73,1.1,;-4.06,1.86,;-5.41,1.09,;-5.38,-.47,;-4.05,-1.22,;-6.74,1.86,;-7.53,.53,;-5.97,3.19,;-8.09,2.61,;-9.4,1.82,;-10.19,3.17,;-10.91,1.42,;-9.02,.34,;-.07,1.11,;1.27,1.88,;2.6,1.11,;3.93,1.88,;5.26,1.11,;6.59,1.88,;6.59,3.42,;5.26,4.19,;7.92,4.19,;9.26,3.42,;9.26,1.88,;7.92,1.11,;7.92,-.43,;5.26,-.43,;6.6,-1.2,)| Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(9-15(20(27)28)18-16(22)3-2-4-17(18)23)10-24-21(26-19)25-13-5-7-14(8-6-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3071
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 38 | 2-ani...)Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50132352
(({3-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)Show SMILES Cn1c2nc(Nc3cccc(c3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.81,-5.78,;2.81,-4.24,;1.47,-3.47,;.14,-4.24,;-1.19,-3.48,;-2.53,-4.26,;-3.87,-3.49,;-5.19,-4.26,;-6.52,-3.52,;-6.54,-1.96,;-5.21,-1.18,;-3.87,-1.95,;-5.21,.37,;-6.75,.39,;-3.66,.37,;-5.21,1.91,;-6.55,2.68,;-5.78,4.01,;-7.64,3.78,;-7.66,1.61,;-1.21,-1.93,;.14,-1.15,;1.47,-1.93,;2.81,-1.15,;4.15,-1.94,;5.48,-1.17,;6.81,-1.94,;6.81,-3.48,;8.14,-1.17,;8.14,.39,;6.81,1.16,;5.48,.37,;4.15,1.15,;4.15,-3.47,;5.48,-4.24,)| Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(8-15(20(27)28)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-13-4-2-5-14(9-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50132353
(CHEMBL102801 | {4-[6-(2,6-Dichloro-phenyl)-8-methy...)Show SMILES Cn1c2nc(Nc3ccc(OCC(O)=O)c(c3)P(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.7,-3.27,;4.67,-1.73,;3.34,-.96,;2.01,-1.73,;.68,-.96,;-.65,-1.73,;-1.98,-.98,;-1.98,.58,;-3.31,1.33,;-4.64,.55,;-5.99,1.32,;-5.99,2.86,;-7.33,3.63,;-8.67,2.85,;-7.34,5.17,;-4.64,-.99,;-3.31,-1.75,;-5.97,-1.77,;-7.3,-2.57,;-7.46,-.86,;-5.3,-3.15,;.68,.58,;2.01,1.35,;3.34,.58,;4.67,1.35,;6.02,.58,;7.35,1.35,;7.35,2.89,;6.02,3.66,;8.68,3.66,;10.02,2.89,;10.02,1.35,;8.68,.58,;8.68,-.96,;6.02,-.96,;7.36,-1.73,)| Show InChI InChI=1S/C22H17Cl2N4O7P/c1-28-20-11(7-13(21(28)31)19-14(23)3-2-4-15(19)24)9-25-22(27-20)26-12-5-6-16(35-10-18(29)30)17(8-12)36(32,33)34/h2-9H,10H2,1H3,(H,29,30)(H,25,26,27)(H2,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50132350
(({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...)Show SMILES Cn1c2nc(Nc3ccc(CP(O)(=O)CP(O)(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(5.26,-5.02,;5.25,-3.48,;3.9,-2.71,;2.57,-3.48,;1.24,-2.71,;-.09,-3.5,;-1.42,-2.74,;-1.42,-1.19,;-2.75,-.43,;-4.08,-1.2,;-5.43,-.43,;-5.43,1.11,;-6.97,1.16,;-3.89,1.09,;-5.41,2.64,;-6.74,3.42,;-5.94,4.76,;-7.81,4.54,;-7.86,2.37,;-4.08,-2.75,;-2.75,-3.51,;1.24,-1.17,;2.57,-.4,;3.9,-1.17,;5.23,-.4,;6.58,-1.17,;7.91,-.4,;9.24,-1.17,;9.24,-2.71,;10.58,-.4,;10.58,1.14,;9.24,1.91,;7.91,1.14,;6.58,1.91,;6.58,-2.71,;7.92,-3.48,)| Show InChI InChI=1S/C22H20Cl2N4O6P2/c1-28-20-14(9-16(21(28)29)19-17(23)3-2-4-18(19)24)10-25-22(27-20)26-15-7-5-13(6-8-15)11-35(30,31)12-36(32,33)34/h2-10H,11-12H2,1H3,(H,30,31)(H,25,26,27)(H2,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50132349
(CHEMBL320374 | {5-[6-(2,6-Dichloro-phenyl)-8-methy...)Show SMILES Cn1c2nc(Nc3ccc(c(c3)P(O)(O)=O)P(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.82,-1.69,;3.82,-.15,;2.48,.62,;1.15,-.15,;-.19,.61,;-1.52,-.17,;-2.87,.6,;-2.87,2.14,;-4.2,2.91,;-5.53,2.13,;-5.52,.58,;-4.19,-.17,;-6.85,-.19,;-8.2,-.99,;-8.36,.72,;-6.19,-1.57,;-6.87,2.9,;-6.07,4.25,;-7.94,4.02,;-7.99,1.84,;-.2,2.17,;1.15,2.94,;2.48,2.17,;3.81,2.94,;5.15,2.15,;6.48,2.92,;6.48,4.48,;5.15,5.24,;7.82,5.25,;9.15,4.48,;9.15,2.92,;7.82,2.15,;7.82,.61,;5.15,.62,;6.48,-.15,)| Show InChI InChI=1S/C20H16Cl2N4O7P2/c1-26-18-10(7-12(19(26)27)17-13(21)3-2-4-14(17)22)9-23-20(25-18)24-11-5-6-15(34(28,29)30)16(8-11)35(31,32)33/h2-9H,1H3,(H,23,24,25)(H2,28,29,30)(H2,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src protein tryrosine kinase |
Bioorg Med Chem Lett 13: 3071-4 (2003)
BindingDB Entry DOI: 10.7270/Q21J995T |
More data for this
Ligand-Target Pair | |
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