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PubMed code 12139450

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-SRC with 1 uM ATP


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116401
PNG
(6,7-Dimethyl-2-(2,4,6-trichloro-phenylamino)-1,8-d...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cc(Cl)cc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H13Cl3N4O/c1-7-8(2)22-17(26)14-10(7)3-4-13-16(14)25-18(23-13)24-15-11(20)5-9(19)6-12(15)21/h3-6H,1-2H3,(H,22,26)(H2,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116405
PNG
(6,7-Dimethyl-2-(2,4,6-tribromo-phenylamino)-1,8-di...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Br)cc(Br)cc4Br)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H13Br3N4O/c1-7-8(2)22-17(26)14-10(7)3-4-13-16(14)25-18(23-13)24-15-11(20)5-9(19)6-12(15)21/h3-6H,1-2H3,(H,22,26)(H2,23,24,25)
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n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
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n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116399
PNG
(2-(2-Chloro-6-methyl-phenylamino)-6,7-dimethyl-1,8...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2c(ccc3c(C)c(C)[nH]c(=O)c23)[nH]1
Show InChI InChI=1S/C19H17ClN4O/c1-9-5-4-6-13(20)16(9)23-19-22-14-8-7-12-10(2)11(3)21-18(25)15(12)17(14)24-19/h4-8H,1-3H3,(H,21,25)(H2,22,23,24)
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n/an/a 27n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116408
PNG
(2-(2-Chloro-phenylamino)-6,7-dimethyl-1,8-dihydro-...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4ccccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H15ClN4O/c1-9-10(2)20-17(24)15-11(9)7-8-14-16(15)23-18(22-14)21-13-6-4-3-5-12(13)19/h3-8H,1-2H3,(H,20,24)(H2,21,22,23)
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n/an/a 150n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116398
PNG
(2-(2,6-Dichloro-phenylamino)-1,6,7,8-tetrahydro-im...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2ccc3CCNC(=O)c3c2[nH]1
Show InChI InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)13(9)21-16-20-11-5-4-8-6-7-19-15(23)12(8)14(11)22-16/h1-5H,6-7H2,(H,19,23)(H2,20,21,22)
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n/an/a 380n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116402
PNG
(2-(2,6-Dichloro-phenylamino)-6,6-dimethyl-1,6-dihy...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21
Show InChI InChI=1S/C18H14Cl2N4O2/c1-18(2)8-6-7-11-14(12(8)15(25)24-16(18)26)23-17(21-11)22-13-9(19)4-3-5-10(13)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26)
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n/an/a 460n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116410
PNG
(2-(2,6-Dimethyl-phenylamino)-6,6-dimethyl-1,6-dihy...)
Show SMILES Cc1cccc(C)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1
Show InChI InChI=1S/C20H20N4O2/c1-10-6-5-7-11(2)15(10)22-19-21-13-9-8-12-14(16(13)23-19)17(25)24-18(26)20(12,3)4/h5-9H,1-4H3,(H2,21,22,23)(H,24,25,26)
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n/an/a 460n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116397
PNG
(6,6-Dimethyl-2-(2,4,6-tribromo-phenylamino)-1,6-di...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Br)cc(Br)cc3Br)[nH]c21
Show InChI InChI=1S/C18H13Br3N4O2/c1-18(2)8-3-4-11-14(12(8)15(26)25-16(18)27)24-17(22-11)23-13-9(20)5-7(19)6-10(13)21/h3-6H,1-2H3,(H2,22,23,24)(H,25,26,27)
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116406
PNG
(6,6-Dimethyl-2-(2,4,6-trichloro-phenylamino)-1,6-d...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cc(Cl)cc3Cl)[nH]c21
Show InChI InChI=1S/C18H13Cl3N4O2/c1-18(2)8-3-4-11-14(12(8)15(26)25-16(18)27)24-17(22-11)23-13-9(20)5-7(19)6-10(13)21/h3-6H,1-2H3,(H2,22,23,24)(H,25,26,27)
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n/an/a 730n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116409
PNG
(2-(2-Chloro-6-methyl-phenylamino)-6,6-dimethyl-1,6...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1
Show InChI InChI=1S/C19H17ClN4O2/c1-9-5-4-6-11(20)14(9)22-18-21-12-8-7-10-13(15(12)23-18)16(25)24-17(26)19(10,2)3/h4-8H,1-3H3,(H2,21,22,23)(H,24,25,26)
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n/an/a 770n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116393
PNG
(2-(2,6-Dichloro-phenylamino)-6,6-dimethyl-1,6,7,8-...)
Show SMILES CC1(C)CNC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21
Show InChI InChI=1S/C18H16Cl2N4O/c1-18(2)8-21-16(25)13-9(18)6-7-12-15(13)24-17(22-12)23-14-10(19)4-3-5-11(14)20/h3-7H,8H2,1-2H3,(H,21,25)(H2,22,23,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116394
PNG
(2-(2,6-Dichloro-phenylamino)-3,6,6-trimethyl-3,6-d...)
Show SMILES Cn1c(Nc2c(Cl)cccc2Cl)nc2c3C(=O)NC(=O)C(C)(C)c3ccc12
Show InChI InChI=1S/C19H16Cl2N4O2/c1-19(2)9-7-8-12-15(13(9)16(26)24-17(19)27)23-18(25(12)3)22-14-10(20)5-4-6-11(14)21/h4-8H,1-3H3,(H,22,23)(H,24,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116403
PNG
(2-[(2,6-Dichloro-phenyl)-methyl-amino]-6,6-dimethy...)
Show SMILES CN(c1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H16Cl2N4O2/c1-19(2)9-7-8-12-14(13(9)16(26)24-17(19)27)23-18(22-12)25(3)15-10(20)5-4-6-11(15)21/h4-8H,1-3H3,(H,22,23)(H,24,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116414
PNG
(2-(2,6-Dichloro-phenylamino)-6-isobutyl-6-methyl-1...)
Show SMILES CC(C)CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21
Show InChI InChI=1/C21H20Cl2N4O2/c1-10(2)9-21(3)11-7-8-14-17(15(11)18(28)27-19(21)29)26-20(24-14)25-16-12(22)5-4-6-13(16)23/h4-8,10H,9H2,1-3H3,(H2,24,25,26)(H,27,28,29)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116411
PNG
(2-(2,6-Dichloro-phenylamino)-6,6-diethyl-1,6-dihyd...)
Show SMILES CCC1(CC)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21
Show InChI InChI=1S/C20H18Cl2N4O2/c1-3-20(4-2)10-8-9-13-16(14(10)17(27)26-18(20)28)25-19(23-13)24-15-11(21)6-5-7-12(15)22/h5-9H,3-4H2,1-2H3,(H2,23,24,25)(H,26,27,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116396
PNG
(2-(2,6-Dichloro-benzyl)-6,6-dimethyl-1,6-dihydro-i...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Cc3c(Cl)cccc3Cl)[nH]c21
Show InChI InChI=1S/C19H15Cl2N3O2/c1-19(2)10-6-7-13-16(15(10)17(25)24-18(19)26)23-14(22-13)8-9-11(20)4-3-5-12(9)21/h3-7H,8H2,1-2H3,(H,22,23)(H,24,25,26)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116395
PNG
(2-(2,6-Dichloro-phenylamino)-6,6,8-trimethyl-1,6-d...)
Show SMILES CN1C(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)[nH]c23)C(C)(C)C1=O
Show InChI InChI=1S/C19H16Cl2N4O2/c1-19(2)9-7-8-12-15(13(9)16(26)25(3)17(19)27)24-18(22-12)23-14-10(20)5-4-6-11(14)21/h4-8H,1-3H3,(H2,22,23,24)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116407
PNG
(2-(2,6-Difluoro-phenylamino)-6,6-dimethyl-1,6-dihy...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(F)cccc3F)[nH]c21
Show InChI InChI=1S/C18H14F2N4O2/c1-18(2)8-6-7-11-14(12(8)15(25)24-16(18)26)23-17(21-11)22-13-9(19)4-3-5-10(13)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116415
PNG
(2-(2,6-Diethyl-phenylamino)-6,6-dimethyl-1,6-dihyd...)
Show SMILES CCc1cccc(CC)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1
Show InChI InChI=1S/C22H24N4O2/c1-5-12-8-7-9-13(6-2)17(12)24-21-23-15-11-10-14-16(18(15)25-21)19(27)26-20(28)22(14,3)4/h7-11H,5-6H2,1-4H3,(H2,23,24,25)(H,26,27,28)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116413
PNG
(2-(2,4-Dichloro-phenylamino)-6,6-dimethyl-1,6-dihy...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3ccc(Cl)cc3Cl)[nH]c21
Show InChI InChI=1S/C18H14Cl2N4O2/c1-18(2)9-4-6-12-14(13(9)15(25)24-16(18)26)23-17(22-12)21-11-5-3-8(19)7-10(11)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116400
PNG
(2-(2-Chloro-phenylamino)-6,6-dimethyl-1,6-dihydro-...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3ccccc3Cl)[nH]c21
Show InChI InChI=1S/C18H15ClN4O2/c1-18(2)9-7-8-12-14(13(9)15(24)23-16(18)25)22-17(21-12)20-11-6-4-3-5-10(11)19/h3-8H,1-2H3,(H2,20,21,22)(H,23,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116392
PNG
((2,6-Dichloro-phenyl)-(6,6-dimethyl-6,7,8,9-tetrah...)
Show SMILES CC1(C)CNCc2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21
Show InChI InChI=1S/C18H18Cl2N4/c1-18(2)9-21-8-10-11(18)6-7-14-15(10)23-17(22-14)24-16-12(19)4-3-5-13(16)20/h3-7,21H,8-9H2,1-2H3,(H2,22,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116412
PNG
(2-(4-Chloro-phenylamino)-6,6-dimethyl-1,6-dihydro-...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3ccc(Cl)cc3)[nH]c21
Show InChI InChI=1S/C18H15ClN4O2/c1-18(2)11-7-8-12-14(13(11)15(24)23-16(18)25)22-17(21-12)20-10-5-3-9(19)4-6-10/h3-8H,1-2H3,(H2,20,21,22)(H,23,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50116404
PNG
(6,6-Dimethyl-2-(2,3,5,6-tetrachloro-phenylamino)-1...)
Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)[nH]c21
Show InChI InChI=1S/C18H12Cl4N4O2/c1-18(2)6-3-4-9-13(10(6)15(27)26-16(18)28)24-17(23-9)25-14-11(21)7(19)5-8(20)12(14)22/h3-5H,1-2H3,(H2,23,24,25)(H,26,27,28)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human p56 Lck tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) with 1 uM ATP


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50116391
PNG
(2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...)
Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C
Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Syk tyrosine kinase


J Med Chem 45: 3394-405 (2002)


Article DOI: 10.1021/jm020113o
BindingDB Entry DOI: 10.7270/Q2CJ8CTW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%