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14 similar compounds to monomer 6464

Compile data set for download or QSAR
Wt: 503.3
BDBM4549
Wt: 531.4
BDBM4550
Wt: 545.4
BDBM4551
Wt: 515.4
BDBM4559
Wt: 531.4
BDBM4560
Wt: 515.4
BDBM6095
Wt: 487.3
BDBM6097
Wt: 501.4
BDBM6098
Wt: 553.4
BDBM6462
Wt: 566.4
BDBM6463
Wt: 553.4
BDBM6471
Wt: 566.4
BDBM6472
Wt: 567.4
BDBM6473
Wt: 547.0
BDBM6475

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 4549,4550,4551,4559,4560,6095,6097,6098,6462,6463,6471,6472,6473,6475   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4549
PNG
(4-Phenylamino 3-quinolinecarbonitrile deriv. 26 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl2N4O4/c1-31-21-12-20(17(25)10-18(21)26)29-24-15(13-27)14-28-19-11-23(22(32-2)9-16(19)24)34-8-5-30-3-6-33-7-4-30/h9-12,14H,3-8H2,1-2H3,(H,28,29)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6097
PNG
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Src kinase


J Med Chem 47: 1599-601 (2004)


BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4551
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 28 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H30Cl2N4O4/c1-34-24-15-23(20(28)13-21(24)29)32-27-18(16-30)17-31-22-14-26(25(35-2)12-19(22)27)37-9-5-3-4-6-33-7-10-36-11-8-33/h12-15,17H,3-11H2,1-2H3,(H,31,32)
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n/an/a 2.5n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4559
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31h |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-33-23-14-22(19(27)12-20(23)28)31-26-17(15-29)16-30-21-13-25(24(34-2)11-18(21)26)35-10-6-9-32-7-4-3-5-8-32/h11-14,16H,3-10H2,1-2H3,(H,30,31)
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n/an/a 1.20n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4560
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31i |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-34-23-13-22(19(27)11-20(23)28)31-26-16(14-29)15-30-21-12-25(24(35-2)10-18(21)26)36-9-3-6-32-7-4-17(33)5-8-32/h10-13,15,17,33H,3-9H2,1-2H3,(H,30,31)
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n/an/a 0.640n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6462
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCOCC5)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H26Cl2N4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-11-26(36-2)27(12-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 1.80n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6463
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H29Cl2N5O3/c1-35-4-6-36(7-5-35)8-9-39-28-13-18-10-21-24(11-19(18)12-27(28)38-3)33-17-20(16-32)29(21)34-25-15-26(37-2)23(31)14-22(25)30/h10-15,17H,4-9H2,1-3H3,(H,33,34)
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n/an/a 1.10n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6471
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H26Cl2N4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.460n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6472
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H29Cl2N5O3/c1-35-4-6-36(7-5-35)8-9-39-28-13-19-11-24-21(10-18(19)12-27(28)38-3)29(20(16-32)17-33-24)34-25-15-26(37-2)23(31)14-22(25)30/h10-15,17H,4-9H2,1-3H3,(H,33,34)
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n/an/a 0.290n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6473
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H28Cl2N4O4/c1-37-26-14-25(22(30)13-23(26)31)34-29-19(15-32)16-33-24-10-18-12-28(27(38-2)11-17(18)9-21(24)29)39-8-7-35-5-3-20(36)4-6-35/h9-14,16,20,36H,3-8H2,1-2H3,(H,33,34)
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n/an/a 0.720n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6475
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C30H31ClN4O4/c1-18-10-24(31)26(15-27(18)37-2)34-30-21(16-32)17-33-25-12-20-14-29(28(38-3)13-19(20)11-23(25)30)39-9-8-35-6-4-22(36)5-7-35/h10-15,17,22,36H,4-9H2,1-3H3,(H,33,34)
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n/an/a 0.550n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6095
PNG
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)
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n/an/a 7.70n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6097
PNG
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29)
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n/an/a 230n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6098
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)
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n/an/a 87n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6095
PNG
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6097
PNG
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29)
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n/an/a 89n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6098
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6095
PNG
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 13: 3797-800 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.001
BindingDB Entry DOI: 10.7270/Q27942VF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6471
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H26Cl2N4O4/c1-35-25-14-24(21(29)13-22(25)30)33-28-19(15-31)16-32-23-10-18-12-27(26(36-2)11-17(18)9-20(23)28)38-8-5-34-3-6-37-7-4-34/h9-14,16H,3-8H2,1-2H3,(H,32,33)
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n/an/a 0.460n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)


Article DOI: 10.1016/j.bmc.2011.03.021
BindingDB Entry DOI: 10.7270/Q2DN45CD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM6097
PNG
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29)
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n/an/a 89n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


J Med Chem 47: 1599-601 (2004)


BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6098
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)
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n/an/a 87n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Src kinase


J Med Chem 47: 1599-601 (2004)


BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6095
PNG
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)
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n/an/a 7.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Src kinase


J Med Chem 47: 1599-601 (2004)


BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM6095
PNG
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


J Med Chem 47: 1599-601 (2004)


BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM6098
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


J Med Chem 47: 1599-601 (2004)


BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4550
PNG
(4-Phenylamino 3-quinolinecarbonitrile deriv. 27 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-33-23-14-22(19(27)12-20(23)28)31-26-17(15-29)16-30-21-13-25(24(34-2)11-18(21)26)36-8-4-3-5-32-6-9-35-10-7-32/h11-14,16H,3-10H2,1-2H3,(H,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair