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Compile Data Set for Download or QSAR

Found 99 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase LCK' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Lck


(Mus musculus)
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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20 -43.5 59n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25979
PNG
(BMCL18324 Compound 1 | N-[4-methoxy-3-(4-methylpip...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-5-6-23(29-32-31-20(2)37-29)17-25(19)21-7-9-22(10-8-21)28(35)30-24-11-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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PubMed
2.80E+3 -31.4 8.40E+3n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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>5.40E+3>-29.8>1.60E+4n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
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>5.40E+3>-29.8>1.60E+4n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26166
PNG
(2,4-dianilino pyrimidine, 23 | 3-({4-[(5-hydroxy-2...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)
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n/an/a 8.5n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26180
PNG
(2,4-dianilino pyrimidine, 37 | 3-({4-[(5-methyl-1H...)
Show SMILES Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C19H17N7O/c1-11-5-6-15-14(10-22-26-15)17(11)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
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n/an/a 12n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26145
PNG
(2,4-dianilino pyrimidine, 2 | 3-({4-[(5-hydroxy-2-...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-14(24)10-15(11)22-16-7-8-20-18(23-16)21-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26186
PNG
(2,4-dianilino pyrimidine, 43 | 3-({4-[(5-methyl-1H...)
Show SMILES Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H17N7O2S/c1-11-5-6-15-14(10-21-25-15)17(11)23-16-7-8-20-18(24-16)22-12-3-2-4-13(9-12)28(19,26)27/h2-10H,1H3,(H,21,25)(H2,19,26,27)(H2,20,22,23,24)
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n/an/a 19n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/a 31n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26185
PNG
(2,4-dianilino pyrimidine, 42 | 3-{[4-(1H-indazol-4...)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C17H15N7O2S/c18-27(25,26)12-4-1-3-11(9-12)21-17-19-8-7-16(23-17)22-14-5-2-6-15-13(14)10-20-24-15/h1-10H,(H,20,24)(H2,18,25,26)(H2,19,21,22,23)
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n/an/a 33n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 40n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26152
PNG
(2,4-dianilino pyrimidine, 9 | 3-({4-[(4-hydroxy-2-...)
Show SMILES Cc1cc(O)ccc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-9-14(24)5-6-15(11)22-16-7-8-20-18(23-16)21-13-4-2-3-12(10-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 40n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26149
PNG
(2,4-dianilino pyrimidine, 6 | 3-({4-[(2-bromo-5-hy...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cc(O)ccc3Br)n2)c1
Show InChI InChI=1S/C17H14BrN5O2/c18-13-5-4-12(24)9-14(13)22-15-6-7-20-17(23-15)21-11-3-1-2-10(8-11)16(19)25/h1-9,24H,(H2,19,25)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26167
PNG
(2,4-dianilino pyrimidine, 24 | 3-({4-[(5-methoxy-2...)
Show SMILES COc1ccc(C)c(Nc2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C18H19N5O3S/c1-12-6-7-14(26-2)11-16(12)22-17-8-9-20-18(23-17)21-13-4-3-5-15(10-13)27(19,24)25/h3-11H,1-2H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 54n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26182
PNG
(2,4-dianilino pyrimidine, 39 | 3-({4-[(7-methyl-1H...)
Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c2cn[nH]c12
Show InChI InChI=1S/C19H17N7O/c1-11-5-6-15(14-10-22-26-17(11)14)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
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n/an/a 55n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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n/an/a 59n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13242
PNG
(2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimet...)
Show SMILES CCCCNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H26N4O2S/c1-6-7-8-20-18(25)23-19-21-14(5)16(26-19)17(24)22-15-12(3)9-11(2)10-13(15)4/h9-10H,6-8H2,1-5H3,(H,22,24)(H2,20,21,23,25)
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n/an/a 70n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM13242
PNG
(2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimet...)
Show SMILES CCCCNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H26N4O2S/c1-6-7-8-20-18(25)23-19-21-14(5)16(26-19)17(24)22-15-12(3)9-11(2)10-13(15)4/h9-10H,6-8H2,1-5H3,(H,22,24)(H2,20,21,23,25)
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of murine Lck kinase.


Bioorg Med Chem Lett 13: 4007-10 (2003)

More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26147
PNG
(2,4-dianilino pyrimidine, 4 | 3-({4-[(3-hydroxy-5-...)
Show SMILES Cc1cc(O)cc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
Show InChI InChI=1S/C18H17N5O2/c1-11-7-14(10-15(24)8-11)21-16-5-6-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 73n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26156
PNG
(2,4-dianilino pyrimidine, 13 | 3-({4-[(5-methoxy-2...)
Show SMILES COc1ccc(C)c(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
Show InChI InChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 86n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26151
PNG
(2,4-dianilino pyrimidine, 8 | 3-({4-[(2-methylphen...)
Show SMILES Cc1ccccc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O/c1-12-5-2-3-8-15(12)22-16-9-10-20-18(23-16)21-14-7-4-6-13(11-14)17(19)24/h2-11H,1H3,(H2,19,24)(H2,20,21,22,23)
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n/an/a 89n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13241
PNG
(4-methyl-2-[(phenylcarbamoyl)amino]-N-(2,4,6-trime...)
Show SMILES Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H22N4O2S/c1-12-10-13(2)17(14(3)11-12)24-19(26)18-15(4)22-21(28-18)25-20(27)23-16-8-6-5-7-9-16/h5-11H,1-4H3,(H,24,26)(H2,22,23,25,27)
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n/an/a 90n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26157
PNG
(2,4-dianilino pyrimidine, 14 | 3-({4-[(5-amino-2-m...)
Show SMILES Cc1ccc(N)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H18N6O/c1-11-5-6-13(19)10-15(11)23-16-7-8-21-18(24-16)22-14-4-2-3-12(9-14)17(20)25/h2-10H,19H2,1H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 97n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13244
PNG
(2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trime...)
Show SMILES Cc1nc(NC(=O)NCc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C22H24N4O2S/c1-13-10-14(2)18(15(3)11-13)25-20(27)19-16(4)24-22(29-19)26-21(28)23-12-17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,25,27)(H2,23,24,26,28)
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n/an/a 100n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26179
PNG
(2,4-dianilino pyrimidine, 36 | 3-{[4-(1H-indazol-4...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
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n/an/a 100n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26153
PNG
(2,4-dianilino pyrimidine, 10 | 3-({4-[(2-hydroxy-6...)
Show SMILES Cc1cccc(O)c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-4-2-7-14(24)16(11)22-15-8-9-20-18(23-15)21-13-6-3-5-12(10-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 100n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26146
PNG
(2,4-dianilino pyrimidine, 3 | 3-({4-[(3-hydroxyphe...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc(O)c3)n2)c1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)11-3-1-4-12(9-11)21-17-19-8-7-15(22-17)20-13-5-2-6-14(23)10-13/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
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n/an/a 130n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM50307127
PNG
((3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-I...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
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n/an/a 150n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13240
PNG
(2-[[(Methylamino)-carbonyl]amino]-4-methyl-N-(2,4,...)
Show SMILES CNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H20N4O2S/c1-8-6-9(2)12(10(3)7-8)19-14(21)13-11(4)18-16(23-13)20-15(22)17-5/h6-7H,1-5H3,(H,19,21)(H2,17,18,20,22)
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n/an/a 170n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM13240
PNG
(2-[[(Methylamino)-carbonyl]amino]-4-methyl-N-(2,4,...)
Show SMILES CNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H20N4O2S/c1-8-6-9(2)12(10(3)7-8)19-14(21)13-11(4)18-16(23-13)20-15(22)17-5/h6-7H,1-5H3,(H,19,21)(H2,17,18,20,22)
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of murine Lck kinase.


Bioorg Med Chem Lett 13: 4007-10 (2003)

More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26148
PNG
(2,4-dianilino pyrimidine, 5 | 3-({4-[(3-hydroxy-4-...)
Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)cc1O
Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-14(10-15(11)24)21-16-7-8-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 190n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26154
PNG
(2,4-dianilino pyrimidine, 11 | 3-({4-[(5-fluoro-2-...)
Show SMILES Cc1ccc(F)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H16FN5O/c1-11-5-6-13(19)10-15(11)23-16-7-8-21-18(24-16)22-14-4-2-3-12(9-14)17(20)25/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 270n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM13224
PNG
(2-N-benzene-4-methyl-5-N-(2,4,6-trimethylphenyl)-1...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H21N3O2S/c1-12-10-13(2)17(14(3)11-12)23-20(26)18-15(4)22-21(27-18)24-19(25)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,23,26)(H,22,24,25)
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n/an/a 320n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of murine Lck kinase.


Bioorg Med Chem Lett 13: 4007-10 (2003)

More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13224
PNG
(2-N-benzene-4-methyl-5-N-(2,4,6-trimethylphenyl)-1...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H21N3O2S/c1-12-10-13(2)17(14(3)11-12)23-20(26)18-15(4)22-21(27-18)24-19(25)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,23,26)(H,22,24,25)
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n/an/a 320n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26168
PNG
(2,4-dianilino pyrimidine, 25 | 3-({4-[(2,4-difluor...)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
Show InChI InChI=1S/C16H13F2N5O2S/c17-10-4-5-14(13(18)8-10)22-15-6-7-20-16(23-15)21-11-2-1-3-12(9-11)26(19,24)25/h1-9H,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 350n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26155
PNG
(2,4-dianilino pyrimidine, 12 | 3-({4-[(5-chloro-2-...)
Show SMILES Cc1ccc(Cl)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H16ClN5O/c1-11-5-6-13(19)10-15(11)23-16-7-8-21-18(24-16)22-14-4-2-3-12(9-14)17(20)25/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 380n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 460n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26176
PNG
(2,4-dianilino pyrimidine, 33 | 3-{[4-(1H-1,2,3-ben...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)c1
Show InChI InChI=1S/C17H14N8O/c18-16(26)10-3-1-4-11(9-10)20-17-19-8-7-14(22-17)21-12-5-2-6-13-15(12)24-25-23-13/h1-9H,(H2,18,26)(H,23,24,25)(H2,19,20,21,22)
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n/an/a 490n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13223
PNG
(2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3...)
Show SMILES CC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19N3O2S/c1-8-6-9(2)13(10(3)7-8)19-15(21)14-11(4)17-16(22-14)18-12(5)20/h6-7H,1-5H3,(H,19,21)(H,17,18,20)
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n/an/a 510n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26181
PNG
(2,4-dianilino pyrimidine, 38 | 3-({4-[(6-methyl-1H...)
Show SMILES Cc1cc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c2cn[nH]c2c1
Show InChI InChI=1S/C19H17N7O/c1-11-7-15(14-10-22-26-16(14)8-11)24-17-5-6-21-19(25-17)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
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n/an/a 520n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26175
PNG
(2,4-dianilino pyrimidine, 32 | 3-{[4-(quinolin-5-y...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1
Show InChI InChI=1S/C20H16N6O/c21-19(27)13-4-1-5-14(12-13)24-20-23-11-9-18(26-20)25-17-8-2-7-16-15(17)6-3-10-22-16/h1-12H,(H2,21,27)(H2,23,24,25,26)
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n/an/a 560n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM50153835
PNG
(1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyp...)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
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n/an/a 570n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 660n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM13222
PNG
(2-[[(Methoxy)carbonyl]-amino]-4-methyl-N-(2,4,6-tr...)
Show SMILES COC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19N3O3S/c1-8-6-9(2)12(10(3)7-8)18-14(20)13-11(4)17-15(23-13)19-16(21)22-5/h6-7H,1-5H3,(H,18,20)(H,17,19,21)
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n/an/a 720n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of murine Lck kinase.


Bioorg Med Chem Lett 13: 4007-10 (2003)

More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM13222
PNG
(2-[[(Methoxy)carbonyl]-amino]-4-methyl-N-(2,4,6-tr...)
Show SMILES COC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19N3O3S/c1-8-6-9(2)12(10(3)7-8)18-14(20)13-11(4)17-15(23-13)19-16(21)22-5/h6-7H,1-5H3,(H,18,20)(H,17,19,21)
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n/an/a 720n/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase LCK


(Mus musculus)
BDBM50248765
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
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n/an/a 750n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Lck in the presence of 50uM ATP


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26150
PNG
(2,4-dianilino pyrimidine, 7 | 3-[(4-{[5-hydroxy-2-...)
Show SMILES CC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C20H21N5O2/c1-12(2)16-7-6-15(26)11-17(16)24-18-8-9-22-20(25-18)23-14-5-3-4-13(10-14)19(21)27/h3-12,26H,1-2H3,(H2,21,27)(H2,22,23,24,25)
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n/an/a 880n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26165
PNG
(2,4-dianilino pyrimidine, 22 | 3-({4-[(2,4-difluor...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
Show InChI InChI=1S/C17H13F2N5O/c18-11-4-5-14(13(19)9-11)23-15-6-7-21-17(24-15)22-12-3-1-2-10(8-12)16(20)25/h1-9H,(H2,20,25)(H2,21,22,23,24)
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n/an/a 1.10E+3n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26158
PNG
(2,4-dianilino pyrimidine, 15 | 3-({2-[(3-carbamoyl...)
Show SMILES Cc1ccc(cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1)C(N)=O
Show InChI InChI=1S/C19H18N6O2/c1-11-5-6-13(18(21)27)10-15(11)24-16-7-8-22-19(25-16)23-14-4-2-3-12(9-14)17(20)26/h2-10H,1H3,(H2,20,26)(H2,21,27)(H2,22,23,24,25)
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n/an/a 1.30E+3n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26177
PNG
(2,4-dianilino pyrimidine, 34 | 3-{[4-(1H-indazol-7...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4cn[nH]c34)n2)c1
Show InChI InChI=1S/C18H15N7O/c19-17(26)11-3-1-5-13(9-11)22-18-20-8-7-15(24-18)23-14-6-2-4-12-10-21-25-16(12)14/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
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n/an/a 1.40E+3n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Citation and Details
More data for this
Ligand-Target Pair
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