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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'ambroso' and Initial = 'la'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3354
PNG
(2,2 -Diselenobis[N,1-dimethyl-1H-indole-3-carboxam...)
Show SMILES CNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
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n/an/a 400n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3361
PNG
((2R)-2-amino-3-[2-({3-[(2R)-2-amino-2-(benzylcarba...)
Show SMILES N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)/t29-,30-/m1/s1
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n/an/a 900n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3362
PNG
((2S)-2-amino-3-[2-({3-[(2S)-2-amino-2-(benzylcarba...)
Show SMILES N[C@@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)/t29-,30-/m0/s1
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n/an/a 1.30E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3351
PNG
(2-amino-3-[2-({3-[2-amino-2-(benzylcarbamoyl)ethyl...)
Show SMILES NC(Cc1c(SSc2[nH]c3ccccc3c2CC(N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H36N6O2S2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3352
PNG
(2,2 -Diselenobis[1-methyl-1H-indole-3-carboxylic a...)
Show SMILES Cn1c([Se][Se]c2c(C(=O)OC(C)(C)C)c3ccccc3n2C)c(C(=O)OC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C28H32N2O4Se2/c1-27(2,3)33-25(31)21-17-13-9-11-15-19(17)29(7)23(21)35-36-24-22(26(32)34-28(4,5)6)18-14-10-12-16-20(18)30(24)8/h9-16H,1-8H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3358
PNG
(1-[2-(diethylamino)ethyl]-2-({1-[2-(diethylamino)e...)
Show SMILES CCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc12
Show InChI InChI=1S/C32H44N6O2Se2/c1-7-35(8-2)19-21-37-25-17-13-11-15-23(25)27(29(39)33-5)31(37)41-42-32-28(30(40)34-6)24-16-12-14-18-26(24)38(32)22-20-36(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3355
PNG
(2,2 -Diselenobis[N-[2-(diethylamino)ethyl]-1-methy...)
Show SMILES CCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3361
PNG
((2R)-2-amino-3-[2-({3-[(2R)-2-amino-2-(benzylcarba...)
Show SMILES N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)/t29-,30-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3353
PNG
(2,2 -Diselenobis[1-methyl-1H-indole-3-carboxylic a...)
Show SMILES Cn1c([Se][Se]c2c(C(O)=O)c3ccccc3n2C)c(C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H16N2O4Se2/c1-21-13-9-5-3-7-11(13)15(19(23)24)17(21)27-28-18-16(20(25)26)12-8-4-6-10-14(12)22(18)2/h3-10H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3356
PNG
(2,2 -Diselenobis[N-methyl-1H-indole-3-carboxamide]...)
Show SMILES CNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12
Show InChI InChI=1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3355
PNG
(2,2 -Diselenobis[N-[2-(diethylamino)ethyl]-1-methy...)
Show SMILES CCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
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n/an/a 3.40E+3n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3353
PNG
(2,2 -Diselenobis[1-methyl-1H-indole-3-carboxylic a...)
Show SMILES Cn1c([Se][Se]c2c(C(O)=O)c3ccccc3n2C)c(C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H16N2O4Se2/c1-21-13-9-5-3-7-11(13)15(19(23)24)17(21)27-28-18-16(20(25)26)12-8-4-6-10-14(12)22(18)2/h3-10H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 3.50E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3357
PNG
(2,2 -Diselenobis[N-[2-(diethylamino)ethyl]-1H-indo...)
Show SMILES CCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12
Show InChI InChI=1S/C30H40N6O2Se2/c1-5-35(6-2)19-17-31-27(37)25-21-13-9-11-15-23(21)33-29(25)39-40-30-26(22-14-10-12-16-24(22)34-30)28(38)32-18-20-36(7-3)8-4/h9-16,33-34H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3362
PNG
((2S)-2-amino-3-[2-({3-[(2S)-2-amino-2-(benzylcarba...)
Show SMILES N[C@@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)/t29-,30-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3357
PNG
(2,2 -Diselenobis[N-[2-(diethylamino)ethyl]-1H-indo...)
Show SMILES CCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12
Show InChI InChI=1S/C30H40N6O2Se2/c1-5-35(6-2)19-17-31-27(37)25-21-13-9-11-15-23(21)33-29(25)39-40-30-26(22-14-10-12-16-24(22)34-30)28(38)32-18-20-36(7-3)8-4/h9-16,33-34H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
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n/an/a 4.60E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3355
PNG
(2,2 -Diselenobis[N-[2-(diethylamino)ethyl]-1-methy...)
Show SMILES CCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
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n/an/a 4.70E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3354
PNG
(2,2 -Diselenobis[N,1-dimethyl-1H-indole-3-carboxam...)
Show SMILES CNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
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n/an/a 4.70E+3n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3354
PNG
(2,2 -Diselenobis[N,1-dimethyl-1H-indole-3-carboxam...)
Show SMILES CNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
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n/an/a 6.10E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3360
PNG
((2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2...)
Show SMILES FC(F)(F)C(=O)N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H34F6N6O4Se2/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)49-35(27)57-58-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3350
PNG
(CHEMBL342929 | N,1-dimethyl-2-{[1-methyl-3-(methyl...)
Show SMILES CNC(=O)c1c(SSc2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O2S2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3350
PNG
(CHEMBL342929 | N,1-dimethyl-2-{[1-methyl-3-(methyl...)
Show SMILES CNC(=O)c1c(SSc2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O2S2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
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n/an/a 6.90E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3358
PNG
(1-[2-(diethylamino)ethyl]-2-({1-[2-(diethylamino)e...)
Show SMILES CCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc12
Show InChI InChI=1S/C32H44N6O2Se2/c1-7-35(8-2)19-21-37-25-17-13-11-15-23(25)27(29(39)33-5)31(37)41-42-32-28(30(40)34-6)24-16-12-14-18-26(24)38(32)22-20-36(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
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n/an/a 6.90E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3360
PNG
((2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2...)
Show SMILES FC(F)(F)C(=O)N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H34F6N6O4Se2/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)49-35(27)57-58-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32-/m1/s1
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n/an/a 7.00E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3351
PNG
(2-amino-3-[2-({3-[2-amino-2-(benzylcarbamoyl)ethyl...)
Show SMILES NC(Cc1c(SSc2[nH]c3ccccc3c2CC(N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H36N6O2S2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)
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n/an/a 7.40E+3n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3356
PNG
(2,2 -Diselenobis[N-methyl-1H-indole-3-carboxamide]...)
Show SMILES CNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12
Show InChI InChI=1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)
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n/an/a 8.00E+3n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3357
PNG
(2,2 -Diselenobis[N-[2-(diethylamino)ethyl]-1H-indo...)
Show SMILES CCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12
Show InChI InChI=1S/C30H40N6O2Se2/c1-5-35(6-2)19-17-31-27(37)25-21-13-9-11-15-23(21)33-29(25)39-40-30-26(22-14-10-12-16-24(22)34-30)28(38)32-18-20-36(7-3)8-4/h9-16,33-34H,5-8,17-20H2,1-4H3,(H,31,37)(H,32,38)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3356
PNG
(2,2 -Diselenobis[N-methyl-1H-indole-3-carboxamide]...)
Show SMILES CNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12
Show InChI InChI=1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)
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n/an/a 1.30E+4n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3361
PNG
((2R)-2-amino-3-[2-({3-[(2R)-2-amino-2-(benzylcarba...)
Show SMILES N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)/t29-,30-/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3353
PNG
(2,2 -Diselenobis[1-methyl-1H-indole-3-carboxylic a...)
Show SMILES Cn1c([Se][Se]c2c(C(O)=O)c3ccccc3n2C)c(C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H16N2O4Se2/c1-21-13-9-5-3-7-11(13)15(19(23)24)17(21)27-28-18-16(20(25)26)12-8-4-6-10-14(12)22(18)2/h3-10H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 1.74E+4n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3362
PNG
((2S)-2-amino-3-[2-({3-[(2S)-2-amino-2-(benzylcarba...)
Show SMILES N[C@@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,39,43)(H,40,44)/t29-,30-/m0/s1
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n/an/a 2.55E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3350
PNG
(CHEMBL342929 | N,1-dimethyl-2-{[1-methyl-3-(methyl...)
Show SMILES CNC(=O)c1c(SSc2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O2S2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
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n/an/a 2.81E+4n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3352
PNG
(2,2 -Diselenobis[1-methyl-1H-indole-3-carboxylic a...)
Show SMILES Cn1c([Se][Se]c2c(C(=O)OC(C)(C)C)c3ccccc3n2C)c(C(=O)OC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C28H32N2O4Se2/c1-27(2,3)33-25(31)21-17-13-9-11-15-19(17)29(7)23(21)35-36-24-22(26(32)34-28(4,5)6)18-14-10-12-16-20(18)30(24)8/h9-16H,1-8H3
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n/an/a>3.10E+4n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Src


(Avian sarcoma virus)		BDBM3359
PNG
((2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2...)
Show SMILES FC(F)(F)C(=O)N[C@H](Cc1c([Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H34F6N6O4Se/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)49-35(27)57-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3358
PNG
(1-[2-(diethylamino)ethyl]-2-({1-[2-(diethylamino)e...)
Show SMILES CCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc12
Show InChI InChI=1S/C32H44N6O2Se2/c1-7-35(8-2)19-21-37-25-17-13-11-15-23(25)27(29(39)33-5)31(37)41-42-32-28(30(40)34-6)24-16-12-14-18-26(24)38(32)22-20-36(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3360
PNG
((2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2...)
Show SMILES FC(F)(F)C(=O)N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H34F6N6O4Se2/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)49-35(27)57-58-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM3359
PNG
((2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2...)
Show SMILES FC(F)(F)C(=O)N[C@H](Cc1c([Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H34F6N6O4Se/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)49-35(27)57-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32-/m1/s1
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Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3359
PNG
((2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2...)
Show SMILES FC(F)(F)C(=O)N[C@H](Cc1c([Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H34F6N6O4Se/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)49-35(27)57-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM3352
PNG
(2,2 -Diselenobis[1-methyl-1H-indole-3-carboxylic a...)
Show SMILES Cn1c([Se][Se]c2c(C(=O)OC(C)(C)C)c3ccccc3n2C)c(C(=O)OC(C)(C)C)c2ccccc12
Show InChI InChI=1S/C28H32N2O4Se2/c1-27(2,3)33-25(31)21-17-13-9-11-15-19(17)29(7)23(21)35-36-24-22(26(32)34-28(4,5)6)18-14-10-12-16-20(18)30(24)8/h9-16H,1-8H3
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n/an/a>1.00E+5n/an/an/an/a7.422



Parke-Davis Pharmaceutical Research



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 40: 413-26 (1997)


Article DOI: 10.1021/jm960689b
BindingDB Entry DOI: 10.7270/Q2TH8JWJ
More data for this
Ligand-Target Pair