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Compile Data Set for Download or QSAR

Found 2415 hits of ic50 data for polymerid = 507   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194684
PNG
(4-methyl-N-(2-methyl-3-4-methyl-N-(2-methyl-3-(2-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O/c1-14-7-8-17(23(33)31-21-6-4-5-20(15(21)2)25(26,27)28)12-19(14)16-9-10-22-18(11-16)13-30-24(29-3)32-22/h4-13H,1-3H3,(H,31,33)(H,29,30,32)
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n/an/a 0.0100n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301603
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34)/t20-,26-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301619
PNG
((S)-3-((S)-1-(4-(5-(2-aminopyrimidin-4-yl)-1H-benz...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccnc(N)n1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C33H33N11O/c1-21(29-19-43(17-16-42(29)2)33(45)40-26-9-5-7-22-6-3-4-8-24(22)26)38-32-36-15-13-30(41-32)44-20-37-27-18-23(10-11-28(27)44)25-12-14-35-31(34)39-25/h3-15,18,20-21,29H,16-17,19H2,1-2H3,(H,40,45)(H2,34,35,39)(H,36,38,41)/t21-,29-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301604
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES CCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C30H32N8O/c1-3-36-17-18-37(30(39)34-24-13-8-10-22-9-4-5-11-23(22)24)19-27(36)21(2)33-29-31-16-15-28(35-29)38-20-32-25-12-6-7-14-26(25)38/h4-16,20-21,27H,3,17-19H2,1-2H3,(H,34,39)(H,31,33,35)/t21-,27-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194688
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC3CC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C27H23F3N4O/c1-15-6-7-18(25(35)33-23-5-3-4-22(16(23)2)27(28,29)30)13-21(15)17-8-11-24-19(12-17)14-31-26(34-24)32-20-9-10-20/h3-8,11-14,20H,9-10H2,1-2H3,(H,33,35)(H,31,32,34)
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n/an/a 0.0700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301624
PNG
((S)-4-methyl-N(S)-4-methyl-N-(naphthalen-1-yl)-3-(...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccncc1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C34H33N9O/c1-23(31-21-42(19-18-41(31)2)34(44)39-28-9-5-7-25-6-3-4-8-27(25)28)38-33-36-17-14-32(40-33)43-22-37-29-20-26(10-11-30(29)43)24-12-15-35-16-13-24/h3-17,20,22-23,31H,18-19,21H2,1-2H3,(H,39,44)(H,36,38,40)/t23-,31-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194668
PNG
(4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c1-19-5-6-21(27(38)35-24-4-2-3-23(17-24)29(30,31)32)16-25(19)20-7-8-26-22(15-20)18-34-28(36-26)33-9-10-37-11-13-39-14-12-37/h2-8,15-18H,9-14H2,1H3,(H,35,38)(H,33,34,36)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301607
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1c1ccncc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C33H31N9O/c1-23(37-32-35-18-15-31(39-32)42-22-36-28-10-4-5-12-29(28)42)30-21-40(19-20-41(30)25-13-16-34-17-14-25)33(43)38-27-11-6-8-24-7-2-3-9-26(24)27/h2-18,22-23,30H,19-21H2,1H3,(H,38,43)(H,35,37,39)/t23-,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13271
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12p |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1
Show InChI InChI=1S/C18H18ClN5O2S/c1-11-4-2-5-12(19)16(11)24-17(26)13-10-21-18(27-13)23-15-7-3-6-14(22-15)20-8-9-25/h2-7,10,25H,8-9H2,1H3,(H,24,26)(H2,20,21,22,23)
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n/an/a<0.200n/an/an/an/an/an/a



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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301605
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES CC(C)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22(2)19-38-17-18-39(32(41)36-26-13-8-10-24-9-4-5-11-25(24)26)20-29(38)23(3)35-31-33-16-15-30(37-31)40-21-34-27-12-6-7-14-28(27)40/h4-16,21-23,29H,17-20H2,1-3H3,(H,36,41)(H,33,35,37)/t23-,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM14949
PNG
(2-aminoquinazoline 5 | 3-(2-aminoquinazolin-6-yl)-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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n/an/a 0.200n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM14949
PNG
(2-aminoquinazoline 5 | 3-(2-aminoquinazolin-6-yl)-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF assay


Bioorg Med Chem Lett 18: 1172-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.123
BindingDB Entry DOI: 10.7270/Q2WD41FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13277
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12v |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCCO)nc(C)n2)s1
Show InChI InChI=1S/C18H19ClN6O2S/c1-10-4-3-5-12(19)16(10)25-17(27)13-9-21-18(28-13)24-15-8-14(20-6-7-26)22-11(2)23-15/h3-5,8-9,26H,6-7H2,1-2H3,(H,25,27)(H2,20,21,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM14949
PNG
(2-aminoquinazoline 5 | 3-(2-aminoquinazolin-6-yl)-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301594
PNG
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)
Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34)
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n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM35317
PNG
(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.270n/an/an/an/an/an/a



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM26381
PNG
(1-N-[3-fluoro-5-(trifluoromethyl)benzene]-4-methyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H29F4N7O2/c1-19-3-4-24(38-28(43)20-13-21(31(33,34)35)15-22(32)14-20)16-27(19)29(44)39-25-17-36-30(37-18-25)40-23-5-7-26(8-6-23)42-11-9-41(2)10-12-42/h3-8,13-18H,9-12H2,1-2H3,(H,38,43)(H,39,44)(H,36,37,40)
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n/an/a 0.300n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194694
PNG
(CHEMBL427233 | N-(2,3-dihydro-1H-inden-4-yl)-4-met...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc2CCCc12
Show InChI InChI=1S/C26H24N4O/c1-16-9-10-19(25(31)29-24-8-4-6-17-5-3-7-21(17)24)14-22(16)18-11-12-23-20(13-18)15-28-26(27-2)30-23/h4,6,8-15H,3,5,7H2,1-2H3,(H,29,31)(H,27,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194691
PNG
(CHEMBL212128 | N-(4-methyl-3-(2-(methylamino)quina...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-8-19(30-22(32)16-4-3-5-18(11-16)24(25,26)27)12-20(14)15-7-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13262
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12g |...)
Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccnn2)s1
Show InChI InChI=1S/C16H15N5OS/c1-10-5-3-6-11(2)14(10)20-15(22)12-9-17-16(23-12)19-13-7-4-8-18-21-13/h3-9H,1-2H3,(H,20,22)(H,17,19,21)
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n/an/a 0.300n/an/an/an/an/an/a



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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50305129
PNG
(6-(2-aminoethoxy)-2-(4-phenoxyphenyl)-9,10-dihydro...)
Show SMILES NCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O3/c27-13-15-33-21-11-6-17-12-14-31-26(29-22(17)16-21)23(25(28)32)24(30-31)18-7-9-20(10-8-18)34-19-4-2-1-3-5-19/h1-11,16,29H,12-15,27H2,(H2,28,32)
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n/an/a 0.300n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting


Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM35317
PNG
(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301588
PNG
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)
Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@H]1CCCN(C1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C29H29N7O/c1-20(32-28-30-16-15-27(34-28)36-19-31-25-12-4-5-14-26(25)36)22-10-7-17-35(18-22)29(37)33-24-13-6-9-21-8-2-3-11-23(21)24/h2-6,8-9,11-16,19-20,22H,7,10,17-18H2,1H3,(H,33,37)(H,30,32,34)/t20-,22-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of lck inase


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194670
PNG
(3-(2-aminoquinazolin-6-yl)-4-chloro-N-(3-(trifluor...)
Show SMILES Nc1ncc2cc(ccc2n1)-c1cc(ccc1Cl)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H14ClF3N4O/c23-18-6-4-13(20(31)29-16-3-1-2-15(10-16)22(24,25)26)9-17(18)12-5-7-19-14(8-12)11-28-21(27)30-19/h1-11H,(H,29,31)(H2,27,28,30)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194678
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C31H32F3N5O2/c1-20-7-8-23(29(40)37-27-6-3-5-26(21(27)2)31(32,33)34)18-25(20)22-9-10-28-24(17-22)19-36-30(38-28)35-11-4-12-39-13-15-41-16-14-39/h3,5-10,17-19H,4,11-16H2,1-2H3,(H,37,40)(H,35,36,38)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301618
PNG
((S)-3-((S)-1-(4-(5-(3-ethyl-2-oxoimidazolidin-1-yl...)
Show SMILES CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)[C@@H]2CN(CCN2C)C(=O)Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C34H38N10O2/c1-4-41-18-19-43(34(41)46)25-12-13-29-28(20-25)36-22-44(29)31-14-15-35-32(39-31)37-23(2)30-21-42(17-16-40(30)3)33(45)38-27-11-7-9-24-8-5-6-10-26(24)27/h5-15,20,22-23,30H,4,16-19,21H2,1-3H3,(H,38,45)(H,35,37,39)/t23-,30-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.400n/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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194686
PNG
(1-(2-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)b...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1NC(=O)NCCN1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N7O3/c1-19-3-4-21(16-24(19)20-5-7-25-22(15-20)18-37-29(35-2)39-25)28(42)38-27-17-23(31(32,33)34)6-8-26(27)40-30(43)36-9-10-41-11-13-44-14-12-41/h3-8,15-18H,9-14H2,1-2H3,(H,38,42)(H,35,37,39)(H2,36,40,43)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM26367
PNG
(Aminoquinazoline amide, 35 | N-[3-(2-aminoquinazol...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C23H17F3N4O/c1-13-5-7-18(29-21(31)15-3-2-4-17(10-15)23(24,25)26)11-19(13)14-6-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
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n/an/a 0.400n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50305140
PNG
(7-(2-aminoethoxy)-2-(4-phenoxyphenyl)-9,10-dihydro...)
Show SMILES NCCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O3/c27-13-15-33-21-10-11-22-18(16-21)12-14-31-26(29-22)23(25(28)32)24(30-31)17-6-8-20(9-7-17)34-19-4-2-1-3-5-19/h1-11,16,29H,12-15,27H2,(H2,28,32)
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n/an/a 0.410n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting


Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50305119
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-hydroxyphenyl)-9,...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H25N5O3/c1-26(2)11-12-30-17-7-8-18-15(13-17)9-10-27-22(24-18)19(21(23)29)20(25-27)14-3-5-16(28)6-4-14/h3-8,13,24,28H,9-12H2,1-2H3,(H2,23,29)
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n/an/a 0.440n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting


Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50301608
PNG
(CHEMBL566507 | ethyl 2-((S)-2-((S)-1-(4-(1H-benzo[...)
Show SMILES CCOC(=O)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C32H34N8O3/c1-3-43-30(41)20-38-17-18-39(32(42)36-25-13-8-10-23-9-4-5-11-24(23)25)19-28(38)22(2)35-31-33-16-15-29(37-31)40-21-34-26-12-6-7-14-27(26)40/h4-16,21-22,28H,3,17-20H2,1-2H3,(H,36,42)(H,33,35,37)/t22-,28-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 5440-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194681
PNG
(CHEMBL215019 | N-(4-chloro-3-(trifluoromethyl)phen...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N4O/c1-13-3-4-15(22(33)31-17-6-7-20(25)19(11-17)24(26,27)28)10-18(13)14-5-8-21-16(9-14)12-30-23(29-2)32-21/h3-12H,1-2H3,(H,31,33)(H,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194683
PNG
(CHEMBL212953 | N-(2-(2-(diethylamino)acetamido)-5-...)
Show SMILES CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC)ncc2c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6O2/c1-5-39(6-2)17-27(40)36-25-12-10-22(30(31,32)33)15-26(25)37-28(41)20-8-7-18(3)23(14-20)19-9-11-24-21(13-19)16-35-29(34-4)38-24/h7-16H,5-6,17H2,1-4H3,(H,36,40)(H,37,41)(H,34,35,38)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194671
PNG
(4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O2/c1-18-4-5-20(15-24(18)19-6-8-25-21(14-19)17-35-29(34-2)37-25)28(39)36-26-16-22(30(31,32)33)7-9-27(26)40-23-10-12-38(3)13-11-23/h4-9,14-17,23H,10-13H2,1-3H3,(H,36,39)(H,34,35,37)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50194690
PNG
(2-fluoro-4-methyl-5-(2-(methylamino)quinazolin-6-y...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(F)cc1C
Show InChI InChI=1S/C24H18F4N4O/c1-13-8-20(25)19(22(33)31-17-5-3-4-16(10-17)24(26,27)28)11-18(13)14-6-7-21-15(9-14)12-30-23(29-2)32-21/h3-12H,1-2H3,(H,31,33)(H,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
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)


Article DOI: 10.1016/s0960-894x(03)00511-0
BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13266
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12k |...)
Show SMILES Cc1ccnc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c1
Show InChI InChI=1S/C17H15ClN4OS/c1-10-6-7-19-14(8-10)21-17-20-9-13(24-17)16(23)22-15-11(2)4-3-5-12(15)18/h3-9H,1-2H3,(H,22,23)(H,19,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13272
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12q |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCN3CCOCC3)n2)s1
Show InChI InChI=1S/C23H27ClN6O2S/c1-16-5-2-6-17(24)21(16)29-22(31)18-15-26-23(33-18)28-20-8-3-7-19(27-20)25-9-4-10-30-11-13-32-14-12-30/h2-3,5-8,15H,4,9-14H2,1H3,(H,29,31)(H2,25,26,27,28)
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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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13273
PNG
(2-(6-(3-(1H-Imidazol-1-yl)propylamino)pyridin-2-yl...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCn3ccnc3)n2)s1
Show InChI InChI=1S/C22H22ClN7OS/c1-15-5-2-6-16(23)20(15)29-21(31)17-13-26-22(32-17)28-19-8-3-7-18(27-19)25-9-4-11-30-12-10-24-14-30/h2-3,5-8,10,12-14H,4,9,11H2,1H3,(H,29,31)(H2,25,26,27,28)
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n/an/a<0.5n/an/an/an/an/an/a



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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13274
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12s |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(ncn2)N2CCOCC2)s1
Show InChI InChI=1S/C19H19ClN6O2S/c1-12-3-2-4-13(20)17(12)25-18(27)14-10-21-19(29-14)24-15-9-16(23-11-22-15)26-5-7-28-8-6-26/h2-4,9-11H,5-8H2,1H3,(H,25,27)(H,21,22,23,24)
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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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
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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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...


J Med Chem 49: 6819-32 (2006)


Article DOI: 10.1021/jm060727j
BindingDB Entry DOI: 10.7270/Q2QN6501
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM26366
PNG
(4-methyl-3-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
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n/an/a 0.5n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50305131
PNG
(6-(3-(dimethylamino)propoxy)-2-(4-phenoxyphenyl)-9...)
Show SMILES CN(C)CCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H31N5O3/c1-33(2)16-6-18-36-24-14-9-20-15-17-34-29(31-25(20)19-24)26(28(30)35)27(32-34)21-10-12-23(13-11-21)37-22-7-4-3-5-8-22/h3-5,7-14,19,31H,6,15-18H2,1-2H3,(H2,30,35)
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n/an/a 0.510n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting


Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50305139
PNG
(6-(2-(4-methylpiperazin-1-yl)ethoxy)-2-(4-phenoxyp...)
Show SMILES CN1CCN(CCOc2ccc3CCn4nc(c(C(N)=O)c4Nc3c2)-c2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C31H34N6O3/c1-35-15-17-36(18-16-35)19-20-39-26-12-7-22-13-14-37-31(33-27(22)21-26)28(30(32)38)29(34-37)23-8-10-25(11-9-23)40-24-5-3-2-4-6-24/h2-12,21,33H,13-20H2,1H3,(H2,32,38)
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n/an/a 0.550n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting


Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50305117
PNG
(7-(2-morpholinoethoxy)-2-(4-phenoxyphenyl)-9,10-di...)
Show SMILES NC(=O)c1c2Nc3ccc(OCCN4CCOCC4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H31N5O4/c31-29(36)27-28(21-6-8-24(9-7-21)39-23-4-2-1-3-5-23)33-35-13-12-22-20-25(10-11-26(22)32-30(27)35)38-19-16-34-14-17-37-18-15-34/h1-11,20,32H,12-19H2,(H2,31,36)
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n/an/a 0.560n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting


Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
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