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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50012528   
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))
BDBM50120101
PNG
((2-Chloro-6-methyl-phenyl)-[8-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C22H23ClN6/c1-15-4-3-5-17(23)21(15)26-22-20-13-24-14-29(20)19-12-16(6-7-18(19)25-22)28-10-8-27(2)9-11-28/h3-7,12-14H,8-11H2,1-2H3,(H,25,26)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120116
PNG
(CHEMBL108362 | N*4*-(2-Chloro-6-methyl-phenyl)-N*7...)
Show SMILES COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C22H25ClN6O/c1-14-6-5-7-15(23)21(14)27-22-19-12-24-13-29(19)18-11-20(30-4)17(10-16(18)26-22)25-8-9-28(2)3/h5-7,10-13,25H,8-9H2,1-4H3,(H,26,27)
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n/an/a 1.70n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120087
PNG
((2-Chloro-6-methyl-phenyl)-[8-(4-ethyl-piperazin-1...)
Show SMILES CCN1CCN(CC1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C23H25ClN6/c1-3-28-9-11-29(12-10-28)17-7-8-19-20(13-17)30-15-25-14-21(30)23(26-19)27-22-16(2)5-4-6-18(22)24/h4-8,13-15H,3,9-12H2,1-2H3,(H,26,27)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120090
PNG
(CHEMBL108686 | N*4*-(2-Chloro-6-methyl-phenyl)-N*8...)
Show SMILES CCN(CC)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C21H22ClN5/c1-4-26(5-2)15-9-10-17-18(11-15)27-13-23-12-19(27)21(24-17)25-20-14(3)7-6-8-16(20)22/h6-13H,4-5H2,1-3H3,(H,24,25)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120094
PNG
((2-Chloro-6-methyl-phenyl)-(7,8-dimethoxy-imidazo[...)
Show SMILES COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OC
Show InChI InChI=1S/C19H17ClN4O2/c1-11-5-4-6-12(20)18(11)23-19-15-9-21-10-24(15)14-8-17(26-3)16(25-2)7-13(14)22-19/h4-10H,1-3H3,(H,22,23)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120097
PNG
((7,8-Dimethoxy-imidazo[1,5-a]quinoxalin-4-yl)-(2,6...)
Show SMILES COc1cc2nc(Nc3c(C)cccc3C)c3cncn3c2cc1OC
Show InChI InChI=1S/C20H20N4O2/c1-12-6-5-7-13(2)19(12)23-20-16-10-21-11-24(16)15-9-18(26-4)17(25-3)8-14(15)22-20/h5-11H,1-4H3,(H,22,23)
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n/an/a 2.40n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120125
PNG
((2-Chloro-6-methyl-phenyl)-[8-methoxy-7-(2-morphol...)
Show SMILES COc1cc2c(cc1OCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C24H26ClN5O3/c1-16-4-3-5-17(25)23(16)28-24-20-14-26-15-30(20)19-13-21(31-2)22(12-18(19)27-24)33-11-8-29-6-9-32-10-7-29/h3-5,12-15H,6-11H2,1-2H3,(H,27,28)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120089
PNG
((2-Chloro-6-methyl-phenyl)-[8-(3,5-dimethyl-pipera...)
Show SMILES CC1CN(CC(C)N1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C23H25ClN6/c1-14-5-4-6-18(24)22(14)28-23-21-10-25-13-30(21)20-9-17(7-8-19(20)27-23)29-11-15(2)26-16(3)12-29/h4-10,13,15-16,26H,11-12H2,1-3H3,(H,27,28)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120093
PNG
((2-Chloro-6-methyl-phenyl)-(8-piperazin-1-yl-imida...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCNCC1
Show InChI InChI=1S/C21H21ClN6/c1-14-3-2-4-16(22)20(14)26-21-19-12-24-13-28(19)18-11-15(5-6-17(18)25-21)27-9-7-23-8-10-27/h2-6,11-13,23H,7-10H2,1H3,(H,25,26)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120130
PNG
(CHEMBL110732 | N-(4-(2-chloro-6-methylphenylamino)...)
Show SMILES CC(=O)Nc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-11-4-3-5-14(20)18(11)24-19-17-9-21-10-25(17)16-8-13(22-12(2)26)6-7-15(16)23-19/h3-10H,1-2H3,(H,22,26)(H,23,24)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120128
PNG
(CHEMBL325986 | N*4*-(2-Chloro-6-methyl-phenyl)-N*8...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(NCCCN3CCOCC3)cc2n2cncc12
Show InChI InChI=1S/C24H27ClN6O/c1-17-4-2-5-19(25)23(17)29-24-22-15-26-16-31(22)21-14-18(6-7-20(21)28-24)27-8-3-9-30-10-12-32-13-11-30/h2,4-7,14-16,27H,3,8-13H2,1H3,(H,28,29)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120127
PNG
(CHEMBL106213 | N*4*-(2-Chloro-6-methyl-phenyl)-N*7...)
Show SMILES COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cnc(C)n21
Show InChI InChI=1S/C23H27ClN6O/c1-14-7-6-8-16(24)22(14)28-23-20-13-26-15(2)30(20)19-12-21(31-5)18(11-17(19)27-23)25-9-10-29(3)4/h6-8,11-13,25H,9-10H2,1-5H3,(H,27,28)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120109
PNG
((2-Chloro-6-methyl-phenyl)-(8-methoxy-imidazo[1,5-...)
Show SMILES COc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C18H15ClN4O/c1-11-4-3-5-13(19)17(11)22-18-16-9-20-10-23(16)15-8-12(24-2)6-7-14(15)21-18/h3-10H,1-2H3,(H,21,22)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120104
PNG
(4-(2-Chloro-6-methyl-phenylamino)-imidazo[1,5-a]qu...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(O)c(O)cc2n2cncc12
Show InChI InChI=1S/C17H13ClN4O2/c1-9-3-2-4-10(18)16(9)21-17-13-7-19-8-22(13)12-6-15(24)14(23)5-11(12)20-17/h2-8,23-24H,1H3,(H,20,21)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120113
PNG
((2-chloro-6-methyl-phenyl)-(7,9-dioxa-2,5,10b-tria...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc3OCOc3cc2n2cncc12
Show InChI InChI=1S/C18H13ClN4O2/c1-10-3-2-4-11(19)17(10)22-18-14-7-20-8-23(14)13-6-16-15(24-9-25-16)5-12(13)21-18/h2-8H,9H2,1H3,(H,21,22)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120111
PNG
((2-Chloro-6-methyl-phenyl)-(8-morpholin-4-yl-imida...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O/c1-14-3-2-4-16(22)20(14)25-21-19-12-23-13-27(19)18-11-15(5-6-17(18)24-21)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,24,25)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120108
PNG
(CHEMBL326476 | N*4*-(2-Chloro-6-methyl-phenyl)-N*8...)
Show SMILES CN(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C19H18ClN5/c1-12-5-4-6-14(20)18(12)23-19-17-10-21-11-25(17)16-9-13(24(2)3)7-8-15(16)22-19/h4-11H,1-3H3,(H,22,23)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120115
PNG
(CHEMBL321862 | N*4*-(2-Chloro-6-fluoro-phenyl)-N*7...)
Show SMILES COc1cc2c(cc1NCCN(C)C)nc(Nc1c(F)cccc1Cl)c1cncn21
Show InChI InChI=1S/C21H22ClFN6O/c1-28(2)8-7-25-16-9-15-17(10-19(16)30-3)29-12-24-11-18(29)21(26-15)27-20-13(22)5-4-6-14(20)23/h4-6,9-12,25H,7-8H2,1-3H3,(H,26,27)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120098
PNG
(CHEMBL322598 | N*4*-(2-Chloro-6-methyl-phenyl)-8-m...)
Show SMILES COc1cc2c(cc1NCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C24H27ClN6O2/c1-16-4-3-5-17(25)23(16)29-24-21-14-26-15-31(21)20-13-22(32-2)19(12-18(20)28-24)27-6-7-30-8-10-33-11-9-30/h3-5,12-15,27H,6-11H2,1-2H3,(H,28,29)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120106
PNG
((2-Chloro-6-methyl-phenyl)-(7-morpholin-4-yl-imida...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(ccc2n2cncc12)N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O/c1-14-3-2-4-16(22)20(14)25-21-19-12-23-13-27(19)18-6-5-15(11-17(18)24-21)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,24,25)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120112
PNG
(CHEMBL110654 | N*4*-(2-Chloro-6-methyl-phenyl)-N*8...)
Show SMILES CN(C)CCNc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C21H23ClN6/c1-14-5-4-6-16(22)20(14)26-21-19-12-23-13-28(19)18-11-15(7-8-17(18)25-21)24-9-10-27(2)3/h4-8,11-13,24H,9-10H2,1-3H3,(H,25,26)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120117
PNG
(CHEMBL319199 | N*4*-(2-Chloro-6-methyl-phenyl)-imi...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(N)cc2n2cncc12
Show InChI InChI=1S/C17H14ClN5/c1-10-3-2-4-12(18)16(10)22-17-15-8-20-9-23(15)14-7-11(19)5-6-13(14)21-17/h2-9H,19H2,1H3,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120132
PNG
(CHEMBL106654 | N*4*-(2-Chloro-6-methyl-phenyl)-N*8...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(NCCN3CCOCC3)cc2n2cncc12
Show InChI InChI=1S/C23H25ClN6O/c1-16-3-2-4-18(24)22(16)28-23-21-14-25-15-30(21)20-13-17(5-6-19(20)27-23)26-7-8-29-9-11-31-12-10-29/h2-6,13-15,26H,7-12H2,1H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120123
PNG
((2-Chloro-6-methyl-phenyl)-[7-(4-methyl-piperazin-...)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C22H23ClN6/c1-15-4-3-5-17(23)21(15)26-22-20-13-24-14-29(20)19-7-6-16(12-18(19)25-22)28-10-8-27(2)9-11-28/h3-7,12-14H,8-11H2,1-2H3,(H,25,26)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120122
PNG
((2-Chloro-6-methyl-phenyl)-(7-methoxy-imidazo[1,5-...)
Show SMILES COc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C18H15ClN4O/c1-11-4-3-5-13(19)17(11)22-18-16-9-20-10-23(16)15-7-6-12(24-2)8-14(15)21-18/h3-10H,1-2H3,(H,21,22)
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n/an/a 8.70n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120095
PNG
(4-(4-(2-chloro-6-methylphenylamino)imidazo[1,5-a]q...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCN(CC1)C=O
Show InChI InChI=1S/C22H21ClN6O/c1-15-3-2-4-17(23)21(15)26-22-20-12-24-13-29(20)19-11-16(5-6-18(19)25-22)28-9-7-27(14-30)8-10-28/h2-6,11-14H,7-10H2,1H3,(H,25,26)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120134
PNG
(CHEMBL84877 | N*4*-(2-Chloro-6-methyl-phenyl)-N*7*...)
Show SMILES CCN(CC)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C21H22ClN5/c1-4-26(5-2)15-9-10-18-17(11-15)24-21(19-12-23-13-27(18)19)25-20-14(3)7-6-8-16(20)22/h6-13H,4-5H2,1-3H3,(H,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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120091
PNG
(CHEMBL110394 | N*4*-(2-Chloro-6-methyl-phenyl)-N*7...)
Show SMILES CN(C)CCCNc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C22H25ClN6/c1-15-6-4-7-17(23)21(15)27-22-20-13-24-14-29(20)19-9-8-16(12-18(19)26-22)25-10-5-11-28(2)3/h4,6-9,12-14,25H,5,10-11H2,1-3H3,(H,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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120126
PNG
((2-Chloro-6-methyl-phenyl)-[8-(4-methyl-[1,4]diaze...)
Show SMILES CN1CCCN(CC1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C23H25ClN6/c1-16-5-3-6-18(24)22(16)27-23-21-14-25-15-30(21)20-13-17(7-8-19(20)26-23)29-10-4-9-28(2)11-12-29/h3,5-8,13-15H,4,9-12H2,1-2H3,(H,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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120099
PNG
((2-Chloro-6-methyl-phenyl)-(9-methoxy-imidazo[1,5-...)
Show SMILES COc1cccc2nc(Nc3c(C)cccc3Cl)c3cncn3c12
Show InChI InChI=1S/C18H15ClN4O/c1-11-5-3-6-12(19)16(11)22-18-14-9-20-10-23(14)17-13(21-18)7-4-8-15(17)24-2/h3-10H,1-2H3,(H,21,22)
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n/an/a 9.40n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120110
PNG
(CHEMBL110932 | N*4*-(2-Chloro-6-methyl-phenyl)-N*7...)
Show SMILES CN(C)CCNc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C21H23ClN6/c1-14-5-4-6-16(22)20(14)26-21-19-12-23-13-28(19)18-8-7-15(11-17(18)25-21)24-9-10-27(2)3/h4-8,11-13,24H,9-10H2,1-3H3,(H,25,26)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120124
PNG
(CHEMBL106482 | N*4*-(2-Chloro-6-methyl-phenyl)-N*8...)
Show SMILES CCNc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C19H18ClN5/c1-3-22-13-7-8-15-16(9-13)25-11-21-10-17(25)19(23-15)24-18-12(2)5-4-6-14(18)20/h4-11,22H,3H2,1-2H3,(H,23,24)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120114
PNG
((2-Chloro-6-methyl-phenyl)-(8,9-dihydro-7,10-dioxa...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc3OCCOc3cc2n2cncc12
Show InChI InChI=1S/C19H15ClN4O2/c1-11-3-2-4-12(20)18(11)23-19-15-9-21-10-24(15)14-8-17-16(7-13(14)22-19)25-5-6-26-17/h2-4,7-10H,5-6H2,1H3,(H,22,23)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120105
PNG
((2-Chloro-6-methyl-phenyl)-(7-piperazin-1-yl-imida...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(ccc2n2cncc12)N1CCNCC1
Show InChI InChI=1S/C21H21ClN6/c1-14-3-2-4-16(22)20(14)26-21-19-12-24-13-28(19)18-6-5-15(11-17(18)25-21)27-9-7-23-8-10-27/h2-6,11-13,23H,7-10H2,1H3,(H,25,26)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120103
PNG
(CHEMBL313466 | N-(4-(2-chloro-6-methylphenylamino)...)
Show SMILES CC(=O)Nc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C19H16ClN5O/c1-11-4-3-5-14(20)18(11)24-19-17-9-21-10-25(17)16-7-6-13(22-12(2)26)8-15(16)23-19/h3-10H,1-2H3,(H,22,26)(H,23,24)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120118
PNG
((2-Chloro-6-methyl-phenyl)-[7-(3,5-dimethyl-pipera...)
Show SMILES CC1CN(CC(C)N1)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21
Show InChI InChI=1S/C23H25ClN6/c1-14-5-4-6-18(24)22(14)28-23-21-10-25-13-30(21)20-8-7-17(9-19(20)27-23)29-11-15(2)26-16(3)12-29/h4-10,13,15-16,26H,11-12H2,1-3H3,(H,27,28)
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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
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120121
PNG
((7-Bromo-imidazo[1,5-a]quinoxalin-4-yl)-(2-chloro-...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(Br)ccc2n2cncc12
Show InChI InChI=1S/C17H12BrClN4/c1-10-3-2-4-12(19)16(10)22-17-15-8-20-9-23(15)14-6-5-11(18)7-13(14)21-17/h2-9H,1H3,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120131
PNG
((8-Bromo-imidazo[1,5-a]quinoxalin-4-yl)-(2-chloro-...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(Br)cc2n2cncc12
Show InChI InChI=1S/C17H12BrClN4/c1-10-3-2-4-12(19)16(10)22-17-15-8-20-9-23(15)14-7-11(18)5-6-13(14)21-17/h2-9H,1H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120133
PNG
((2-Chloro-6-methyl-phenyl)-[8-(3,5-dimethyl-pipera...)
Show SMILES COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1N1CC(C)NC(C)C1
Show InChI InChI=1S/C24H27ClN6O/c1-14-6-5-7-17(25)23(14)29-24-21-10-26-13-31(21)19-9-20(22(32-4)8-18(19)28-24)30-11-15(2)27-16(3)12-30/h5-10,13,15-16,27H,11-12H2,1-4H3,(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120136
PNG
(CHEMBL83008 | N*4*-(2-Chloro-6-methyl-phenyl)-imid...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(N)ccc2n2cncc12
Show InChI InChI=1S/C17H14ClN5/c1-10-3-2-4-12(18)16(10)22-17-15-8-20-9-23(15)14-6-5-11(19)7-13(14)21-17/h2-9H,19H2,1H3,(H,21,22)
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n/an/a 21n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120107
PNG
((2,6-Dichloro-phenyl)-(8-nitro-imidazo[1,5-a]quino...)
Show SMILES [O-][N+](=O)c1ccc2nc(Nc3c(Cl)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C16H9Cl2N5O2/c17-10-2-1-3-11(18)15(10)21-16-14-7-19-8-22(14)13-6-9(23(24)25)4-5-12(13)20-16/h1-8H,(H,20,21)
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n/an/a 24n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120100
PNG
(4-(2-Chloro-6-methyl-phenylamino)-imidazo[1,5-a]qu...)
Show SMILES COC(=O)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C19H15ClN4O2/c1-11-4-3-5-13(20)17(11)23-18-16-9-21-10-24(16)15-8-12(19(25)26-2)6-7-14(15)22-18/h3-10H,1-2H3,(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120092
PNG
((2-Chloro-6-methyl-phenyl)-(8-fluoro-imidazo[1,5-a...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(F)cc2n2cncc12
Show InChI InChI=1S/C17H12ClFN4/c1-10-3-2-4-12(18)16(10)22-17-15-8-20-9-23(15)14-7-11(19)5-6-13(14)21-17/h2-9H,1H3,(H,21,22)
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n/an/a 26n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120135
PNG
(4-(2-Chloro-6-methyl-phenylamino)-imidazo[1,5-a]qu...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(ccc2n2cncc12)C(N)=O
Show InChI InChI=1S/C18H14ClN5O/c1-10-3-2-4-12(19)16(10)23-18-15-8-21-9-24(15)14-6-5-11(17(20)25)7-13(14)22-18/h2-9H,1H3,(H2,20,25)(H,22,23)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120102
PNG
((2-Chloro-6-methyl-phenyl)-[7-methoxy-8-(2-morphol...)
Show SMILES COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C24H26ClN5O3/c1-16-4-3-5-17(25)23(16)28-24-20-14-26-15-30(20)19-13-22(21(31-2)12-18(19)27-24)33-11-8-29-6-9-32-10-7-29/h3-5,12-15H,6-11H2,1-2H3,(H,27,28)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120119
PNG
(CHEMBL106304 | N*4*-(2,6-Dimethyl-phenyl)-imidazo[...)
Show SMILES Cc1cccc(C)c1Nc1nc2cccc(N)c2n2cncc12
Show InChI InChI=1S/C18H17N5/c1-11-5-3-6-12(2)16(11)22-18-15-9-20-10-23(15)17-13(19)7-4-8-14(17)21-18/h3-10H,19H2,1-2H3,(H,21,22)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120096
PNG
(4-(2-Chloro-6-methyl-phenylamino)-imidazo[1,5-a]qu...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)C#N
Show InChI InChI=1S/C18H12ClN5/c1-11-3-2-4-13(19)17(11)23-18-16-9-21-10-24(16)15-7-12(8-20)5-6-14(15)22-18/h2-7,9-10H,1H3,(H,22,23)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120120
PNG
((2,6-Dimethyl-phenyl)-(9-nitro-imidazo[1,5-a]quino...)
Show SMILES Cc1cccc(C)c1Nc1nc2cccc([N+]([O-])=O)c2n2cncc12
Show InChI InChI=1S/C18H15N5O2/c1-11-5-3-6-12(2)16(11)21-18-15-9-19-10-22(15)17-13(20-18)7-4-8-14(17)23(24)25/h3-10H,1-2H3,(H,20,21)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112918
PNG
((2-Bromo-phenyl)-imidazo[1,5-a]quinoxalin-4-yl-ami...)
Show SMILES Brc1ccccc1Nc1nc2ccccc2n2cncc12
Show InChI InChI=1S/C16H11BrN4/c17-11-5-1-2-6-12(11)19-16-15-9-18-10-21(15)14-8-4-3-7-13(14)20-16/h1-10H,(H,19,20)
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Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50120088
PNG
((9-Benzyloxy-imidazo[1,5-a]quinoxalin-4-yl)-(2-chl...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cccc(OCc3ccccc3)c2n2cncc12
Show InChI InChI=1S/C24H19ClN4O/c1-16-7-5-10-18(25)22(16)28-24-20-13-26-15-29(20)23-19(27-24)11-6-12-21(23)30-14-17-8-3-2-4-9-17/h2-13,15H,14H2,1H3,(H,27,28)
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n/an/a 240n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.


Bioorg Med Chem Lett 12: 3153-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NC60JR
More data for this
Ligand-Target Pair
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