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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'defex' and Initial = 'hf'   
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 Lck


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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0.540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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8.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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333n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131170
PNG
(2-(4-Morpholin-4-ylmethyl-pyridin-2-ylamino)-benzo...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN4CCOCC4)ccn3)sc2c1
Show InChI InChI=1S/C25H24ClN5O2S/c1-16-3-2-4-19(26)23(16)30-24(32)18-5-6-20-21(14-18)34-25(28-20)29-22-13-17(7-8-27-22)15-31-9-11-33-12-10-31/h2-8,13-14H,9-12,15H2,1H3,(H,30,32)(H,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131157
PNG
(2-[4-(4-Methylamino-piperazin-1-ylmethyl)-pyridin-...)
Show SMILES CNN1CCN(Cc2ccnc(Nc3nc4ccc(cc4s3)C(=O)Nc3c(C)cccc3Cl)c2)CC1
Show InChI InChI=1S/C26H28ClN7OS/c1-17-4-3-5-20(27)24(17)32-25(35)19-6-7-21-22(15-19)36-26(30-21)31-23-14-18(8-9-29-23)16-33-10-12-34(28-2)13-11-33/h3-9,14-15,28H,10-13,16H2,1-2H3,(H,32,35)(H,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131117
PNG
(2-[2-(2-Hydroxy-ethylamino)-6-methyl-pyrimidin-4-y...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
Show InChI InChI=1S/C22H21ClN6O2S/c1-12-4-3-5-15(23)19(12)29-20(31)14-6-7-16-17(11-14)32-22(26-16)28-18-10-13(2)25-21(27-18)24-8-9-30/h3-7,10-11,30H,8-9H2,1-2H3,(H,29,31)(H2,24,25,26,27,28)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131117
PNG
(2-[2-(2-Hydroxy-ethylamino)-6-methyl-pyrimidin-4-y...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
Show InChI InChI=1S/C22H21ClN6O2S/c1-12-4-3-5-15(23)19(12)29-20(31)14-6-7-16-17(11-14)32-22(26-16)28-18-10-13(2)25-21(27-18)24-8-9-30/h3-7,10-11,30H,8-9H2,1-2H3,(H,29,31)(H2,24,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131155
PNG
(2-(6-Amino-pyridin-2-ylamino)-benzothiazole-6-carb...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(N)n3)sc2c1
Show InChI InChI=1S/C20H16ClN5OS/c1-11-4-2-5-13(21)18(11)26-19(27)12-8-9-14-15(10-12)28-20(23-14)25-17-7-3-6-16(22)24-17/h2-10H,1H3,(H,26,27)(H3,22,23,24,25)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131159
PNG
(2-[6-(2-Acetylamino-ethylamino)-pyridin-2-ylamino]...)
Show SMILES CC(=O)NCCNc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1S/C24H23ClN6O2S/c1-14-5-3-6-17(25)22(14)31-23(33)16-9-10-18-19(13-16)34-24(28-18)30-21-8-4-7-20(29-21)27-12-11-26-15(2)32/h3-10,13H,11-12H2,1-2H3,(H,26,32)(H,31,33)(H2,27,28,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129325
PNG
(2-[(2-Hydroxymethyl-cyclopropanecarbonyl)-amino]-b...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3CO)sc2c1
Show InChI InChI=1S/C20H18ClN3O3S/c1-10-3-2-4-14(21)17(10)23-18(26)11-5-6-15-16(8-11)28-20(22-15)24-19(27)13-7-12(13)9-25/h2-6,8,12-13,25H,7,9H2,1H3,(H,23,26)(H,22,24,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Lck protein tyrosine kinase


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131142
PNG
(2-[2-(2-Hydroxy-ethylamino)-pyrimidin-4-ylamino]-b...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccnc(NCCO)n3)sc2c1
Show InChI InChI=1S/C21H19ClN6O2S/c1-12-3-2-4-14(22)18(12)28-19(30)13-5-6-15-16(11-13)31-21(25-15)27-17-7-8-23-20(26-17)24-9-10-29/h2-8,11,29H,9-10H2,1H3,(H,28,30)(H2,23,24,25,26,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129311
PNG
(2-[3-(2,2,6,6-Tetramethyl-piperidin-4-yl)-ureido]-...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC(C)(C)NC(C)(C)C3)sc2c1
Show InChI InChI=1S/C25H30ClN5O2S/c1-14-7-6-8-17(26)20(14)29-21(32)15-9-10-18-19(11-15)34-23(28-18)30-22(33)27-16-12-24(2,3)31-25(4,5)13-16/h6-11,16,31H,12-13H2,1-5H3,(H,29,32)(H2,27,28,30,33)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphorylation ofan exogenous substrate by human p56 Lck tyrosine kinase expressed as a Histagged protein in insect cells usi...


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50131117
PNG
(2-[2-(2-Hydroxy-ethylamino)-6-methyl-pyrimidin-4-y...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
Show InChI InChI=1S/C22H21ClN6O2S/c1-12-4-3-5-15(23)19(12)29-20(31)14-6-7-16-17(11-14)32-22(26-16)28-18-10-13(2)25-21(27-18)24-8-9-30/h3-7,10-11,30H,8-9H2,1-2H3,(H,29,31)(H2,24,25,26,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphorylation ofan exogenous substrate by human p56 Lck tyrosine kinase expressed as a Histagged protein in insect cells usi...


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131171
PNG
(2-(6-Ethyl-pyrimidin-4-ylamino)-benzothiazole-6-ca...)
Show SMILES CCc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C21H18ClN5OS/c1-3-14-10-18(24-11-23-14)26-21-25-16-8-7-13(9-17(16)29-21)20(28)27-19-12(2)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H,27,28)(H,23,24,25,26)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131123
PNG
(2-(4-Ethyl-pyridin-2-ylamino)-benzothiazole-6-carb...)
Show SMILES CCc1ccnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1
Show InChI InChI=1S/C22H19ClN4OS/c1-3-14-9-10-24-19(11-14)26-22-25-17-8-7-15(12-18(17)29-22)21(28)27-20-13(2)5-4-6-16(20)23/h4-12H,3H2,1-2H3,(H,27,28)(H,24,25,26)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131141
PNG
(2-[6-(2-Amino-2-methyl-propylamino)-pyridin-2-ylam...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCC(C)(C)N)n3)sc2c1
Show InChI InChI=1S/C24H25ClN6OS/c1-14-6-4-7-16(25)21(14)31-22(32)15-10-11-17-18(12-15)33-23(28-17)30-20-9-5-8-19(29-20)27-13-24(2,3)26/h4-12H,13,26H2,1-3H3,(H,31,32)(H2,27,28,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131152
PNG
(2-[2-(2-Hydroxy-2-methyl-propylamino)-6-methyl-pyr...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC(C)(C)O)n1
Show InChI InChI=1S/C24H25ClN6O2S/c1-13-6-5-7-16(25)20(13)31-21(32)15-8-9-17-18(11-15)34-23(28-17)30-19-10-14(2)27-22(29-19)26-12-24(3,4)33/h5-11,33H,12H2,1-4H3,(H,31,32)(H2,26,27,28,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131164
PNG
(2-(2-Methyl-6-morpholin-4-ylmethyl-pyrimidin-4-yla...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN4CCOCC4)nc(C)n3)sc2c1
Show InChI InChI=1S/C25H25ClN6O2S/c1-15-4-3-5-19(26)23(15)31-24(33)17-6-7-20-21(12-17)35-25(29-20)30-22-13-18(27-16(2)28-22)14-32-8-10-34-11-9-32/h3-7,12-13H,8-11,14H2,1-2H3,(H,31,33)(H,27,28,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131146
PNG
(2-[6-(2-Acetylamino-ethylamino)-pyrimidin-4-ylamin...)
Show SMILES CC(=O)NCCNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C23H22ClN7O2S/c1-13-4-3-5-16(24)21(13)31-22(33)15-6-7-17-18(10-15)34-23(29-17)30-20-11-19(27-12-28-20)26-9-8-25-14(2)32/h3-7,10-12H,8-9H2,1-2H3,(H,25,32)(H,31,33)(H2,26,27,28,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129327
PNG
(2-[(2-Dimethylaminomethyl-cyclopropanecarbonyl)-am...)
Show SMILES CN(C)CC1CC1C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C22H23ClN4O2S/c1-12-5-4-6-16(23)19(12)25-20(28)13-7-8-17-18(10-13)30-22(24-17)26-21(29)15-9-14(15)11-27(2)3/h4-8,10,14-15H,9,11H2,1-3H3,(H,25,28)(H,24,26,29)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Lck protein tyrosine kinase


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129315
PNG
(2-[(2-Methyl-cyclopropanecarbonyl)-amino]-benzothi...)
Show SMILES CC1CC1C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C20H18ClN3O2S/c1-10-4-3-5-14(21)17(10)23-18(25)12-6-7-15-16(9-12)27-20(22-15)24-19(26)13-8-11(13)2/h3-7,9,11,13H,8H2,1-2H3,(H,23,25)(H,22,24,26)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Lck protein tyrosine kinase


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129343
PNG
(2-{3-[2-(1-Methyl-pyrrolidin-2-yl)-ethyl]-ureido}-...)
Show SMILES CN1CCCC1CCNC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C23H26ClN5O2S/c1-14-5-3-7-17(24)20(14)27-21(30)15-8-9-18-19(13-15)32-23(26-18)28-22(31)25-11-10-16-6-4-12-29(16)2/h3,5,7-9,13,16H,4,6,10-12H2,1-2H3,(H,27,30)(H2,25,26,28,31)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphorylation ofan exogenous substrate by human p56 Lck tyrosine kinase expressed as a Histagged protein in insect cells usi...


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131137
PNG
(2-(2-Methyl-6-methylaminomethyl-pyrimidin-4-ylamin...)
Show SMILES CNCc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C22H21ClN6OS/c1-12-5-4-6-16(23)20(12)29-21(30)14-7-8-17-18(9-14)31-22(27-17)28-19-10-15(11-24-3)25-13(2)26-19/h4-10,24H,11H2,1-3H3,(H,29,30)(H,25,26,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131137
PNG
(2-(2-Methyl-6-methylaminomethyl-pyrimidin-4-ylamin...)
Show SMILES CNCc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C22H21ClN6OS/c1-12-5-4-6-16(23)20(12)29-21(30)14-7-8-17-18(9-14)31-22(27-17)28-19-10-15(11-24-3)25-13(2)26-19/h4-10,24H,11H2,1-3H3,(H,29,30)(H,25,26,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131135
PNG
(2-(4,6-Dimethyl-pyridin-2-ylamino)-benzothiazole-6...)
Show SMILES Cc1cc(C)nc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1
Show InChI InChI=1S/C22H19ClN4OS/c1-12-9-14(3)24-19(10-12)26-22-25-17-8-7-15(11-18(17)29-22)21(28)27-20-13(2)5-4-6-16(20)23/h4-11H,1-3H3,(H,27,28)(H,24,25,26)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131145
PNG
(2-[6-(2-Hydroxy-ethylamino)-pyrimidin-4-ylamino]-b...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(NCCO)ncn3)sc2c1
Show InChI InChI=1S/C21H19ClN6O2S/c1-12-3-2-4-14(22)19(12)28-20(30)13-5-6-15-16(9-13)31-21(26-15)27-18-10-17(23-7-8-29)24-11-25-18/h2-6,9-11,29H,7-8H2,1H3,(H,28,30)(H2,23,24,25,26,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131132
PNG
(2-(6-Amino-pyrimidin-4-ylamino)-benzothiazole-6-ca...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(N)ncn3)sc2c1
Show InChI InChI=1S/C19H15ClN6OS/c1-10-3-2-4-12(20)17(10)26-18(27)11-5-6-13-14(7-11)28-19(24-13)25-16-8-15(21)22-9-23-16/h2-9H,1H3,(H,26,27)(H3,21,22,23,24,25)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13355
PNG
(6-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C19H16ClN3O2S/c1-10-3-2-4-13(20)16(10)22-18(25)12-7-8-14-15(9-12)26-19(21-14)23-17(24)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,22,25)(H,21,23,24)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphorylation ofan exogenous substrate by human p56 Lck tyrosine kinase expressed as a Histagged protein in insect cells usi...


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131168
PNG
(2-(6-Methyl-pyridin-2-ylamino)-benzothiazole-6-car...)
Show SMILES Cc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1S/C21H17ClN4OS/c1-12-5-3-7-15(22)19(12)26-20(27)14-9-10-16-17(11-14)28-21(24-16)25-18-8-4-6-13(2)23-18/h3-11H,1-2H3,(H,26,27)(H,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131144
PNG
(2-(4-Dimethylaminomethyl-pyridin-2-ylamino)-benzot...)
Show SMILES CN(C)Cc1ccnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1
Show InChI InChI=1S/C23H22ClN5OS/c1-14-5-4-6-17(24)21(14)28-22(30)16-7-8-18-19(12-16)31-23(26-18)27-20-11-15(9-10-25-20)13-29(2)3/h4-12H,13H2,1-3H3,(H,28,30)(H,25,26,27)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131133
PNG
(2-(6-Dimethylaminomethyl-pyridin-2-ylamino)-benzot...)
Show SMILES CN(C)Cc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1S/C23H22ClN5OS/c1-14-6-4-8-17(24)21(14)28-22(30)15-10-11-18-19(12-15)31-23(26-18)27-20-9-5-7-16(25-20)13-29(2)3/h4-12H,13H2,1-3H3,(H,28,30)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50131117
PNG
(2-[2-(2-Hydroxy-ethylamino)-6-methyl-pyrimidin-4-y...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
Show InChI InChI=1S/C22H21ClN6O2S/c1-12-4-3-5-15(23)19(12)29-20(31)14-6-7-16-17(11-14)32-22(26-16)28-18-10-13(2)25-21(27-18)24-8-9-30/h3-7,10-11,30H,8-9H2,1-2H3,(H,29,31)(H2,24,25,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131134
PNG
(2-(6-Methyl-2-morpholin-4-ylmethyl-pyrimidin-4-yla...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(CN2CCOCC2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-15-4-3-5-18(26)23(15)31-24(33)17-6-7-19-20(13-17)35-25(28-19)30-21-12-16(2)27-22(29-21)14-32-8-10-34-11-9-32/h3-7,12-13H,8-11,14H2,1-2H3,(H,31,33)(H,27,28,29,30)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129348
PNG
(2-[(2-Pyrrolidin-1-ylmethyl-cyclopropanecarbonyl)-...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3CN3CCCC3)sc2c1
Show InChI InChI=1S/C24H25ClN4O2S/c1-14-5-4-6-18(25)21(14)27-22(30)15-7-8-19-20(12-15)32-24(26-19)28-23(31)17-11-16(17)13-29-9-2-3-10-29/h4-8,12,16-17H,2-3,9-11,13H2,1H3,(H,27,30)(H,26,28,31)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Lck protein tyrosine kinase


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129323
PNG
(2-[(2-Methyl-cyclopropanecarbonyl)-amino]-benzothi...)
Show SMILES CC1CC1C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21N3O2S/c1-11-5-4-6-12(2)18(11)23-19(25)14-7-8-16-17(10-14)27-21(22-16)24-20(26)15-9-13(15)3/h4-8,10,13,15H,9H2,1-3H3,(H,23,25)(H,22,24,26)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphorylation ofan exogenous substrate by human p56 Lck tyrosine kinase expressed as a Histagged protein in insect cells usi...


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131120
PNG
(2-(6-Methoxy-pyrimidin-4-ylamino)-benzothiazole-6-...)
Show SMILES COc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H16ClN5O2S/c1-11-4-3-5-13(21)18(11)26-19(27)12-6-7-14-15(8-12)29-20(24-14)25-16-9-17(28-2)23-10-22-16/h3-10H,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
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