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PubMed code 16997556

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195334
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(diethylamino...)
Show SMILES CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195345
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C23H25N7O/c1-16-7-8-17(31)13-19(16)25-21-14-22(29-11-9-28(2)10-12-29)27-23(26-21)30-15-24-18-5-3-4-6-20(18)30/h3-8,13-15,31H,9-12H2,1-2H3,(H,25,26,27)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195351
PNG
(1-(3-(2,5-dimethylbenzyl)-5-(3-cyclohexylpropyl)ph...)
Show SMILES Cc1ccc(O)cc1Nc1cc(OCCN2CCOCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H26N6O3/c1-17-6-7-18(31)14-20(17)26-22-15-23(33-13-10-29-8-11-32-12-9-29)28-24(27-22)30-16-25-19-4-2-3-5-21(19)30/h2-7,14-16,31H,8-13H2,1H3,(H,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195340
PNG
(3-(4-(benzo[d]isoxazol-3-yl)pyrimidin-2-ylamino)-4...)
Show SMILES Cc1ccc(O)cc1Nc1nccc(n1)-c1noc2ccccc12
Show InChI InChI=1S/C18H14N4O2/c1-11-6-7-12(23)10-15(11)21-18-19-9-8-14(20-18)17-13-4-2-3-5-16(13)24-22-17/h2-10,23H,1H3,(H,19,20,21)
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n/an/a 4.20n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195354
PNG
(CHEMBL220924 | N1-(4-(benzo[d]isoxazol-3-yl)pyrimi...)
Show SMILES Cc1ccc(N)cc1Nc1nccc(n1)-c1noc2ccccc12
Show InChI InChI=1S/C18H15N5O/c1-11-6-7-12(19)10-15(11)22-18-20-9-8-14(21-18)17-13-4-2-3-5-16(13)24-23-17/h2-10H,19H2,1H3,(H,20,21,22)
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n/an/a 6.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195338
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-morpholinoeth...)
Show SMILES Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H27N7O2/c1-17-6-7-18(32)14-20(17)27-23-15-22(25-8-9-30-10-12-33-13-11-30)28-24(29-23)31-16-26-19-4-2-3-5-21(19)31/h2-7,14-16,32H,8-13H2,1H3,(H2,25,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195329
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H15N5O/c1-12-6-7-13(24)10-15(12)21-17-8-9-19-18(22-17)23-11-20-14-4-2-3-5-16(14)23/h2-11,24H,1H3,(H,19,21,22)
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n/an/a 24n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195342
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-((1-methylpiperi...)
Show SMILES CN1CCC(Cc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C25H28N6O/c1-17-7-8-20(32)15-22(17)28-24-14-19(13-18-9-11-30(2)12-10-18)27-25(29-24)31-16-26-21-5-3-4-6-23(21)31/h3-8,14-16,18,32H,9-13H2,1-2H3,(H,27,28,29)
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n/an/a 43n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195331
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(3-(dimethylamin...)
Show SMILES CN(C)CCCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C23H27N7O/c1-16-9-10-17(31)13-19(16)26-22-14-21(24-11-6-12-29(2)3)27-23(28-22)30-15-25-18-7-4-5-8-20(18)30/h4-5,7-10,13-15,31H,6,11-12H2,1-3H3,(H2,24,26,27,28)
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n/an/a 44n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195352
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(4-methylpipe...)
Show SMILES CN1CCN(CCNc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C25H30N8O/c1-18-7-8-19(34)15-21(18)28-24-16-23(26-9-10-32-13-11-31(2)12-14-32)29-25(30-24)33-17-27-20-5-3-4-6-22(20)33/h3-8,15-17,34H,9-14H2,1-2H3,(H2,26,28,29,30)
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n/an/a 45n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50195334
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(diethylamino...)
Show SMILES CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29)
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n/an/a 46n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Hck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195343
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(4-methylpipe...)
Show SMILES CN1CCN(CCOc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C25H29N7O2/c1-18-7-8-19(33)15-21(18)27-23-16-24(34-14-13-31-11-9-30(2)10-12-31)29-25(28-23)32-17-26-20-5-3-4-6-22(20)32/h3-8,15-17,33H,9-14H2,1-2H3,(H,27,28,29)
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n/an/a 65n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195344
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-methoxypyrimidin...)
Show SMILES COc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C19H17N5O2/c1-12-7-8-13(25)9-15(12)21-17-10-18(26-2)23-19(22-17)24-11-20-14-5-3-4-6-16(14)24/h3-11,25H,1-2H3,(H,21,22,23)
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n/an/a 71n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195346
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(methylamino)pyr...)
Show SMILES CNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C19H18N6O/c1-12-7-8-13(26)9-15(12)22-18-10-17(20-2)23-19(24-18)25-11-21-14-5-3-4-6-16(14)25/h3-11,26H,1-2H3,(H2,20,22,23,24)
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n/an/a 79n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195328
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(3-(piperazin-1-...)
Show SMILES Cc1ccc(O)cc1Nc1cc(NCCCN2CCNCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C25H30N8O/c1-18-7-8-19(34)15-21(18)29-24-16-23(27-9-4-12-32-13-10-26-11-14-32)30-25(31-24)33-17-28-20-5-2-3-6-22(20)33/h2-3,5-8,15-17,26,34H,4,9-14H2,1H3,(H2,27,29,30,31)
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n/an/a 130n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195357
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-morpholinopyrimi...)
Show SMILES Cc1ccc(O)cc1Nc1cc(nc(n1)-n1cnc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H22N6O2/c1-15-6-7-16(29)12-18(15)24-20-13-21(27-8-10-30-11-9-27)26-22(25-20)28-14-23-17-4-2-3-5-19(17)28/h2-7,12-14,29H,8-11H2,1H3,(H,24,25,26)
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n/an/a 137n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50195334
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(diethylamino...)
Show SMILES CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29)
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n/an/a 162n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195350
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)Nc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C23H26N8O/c1-16-7-8-17(32)13-19(16)25-21-14-22(28-30-11-9-29(2)10-12-30)27-23(26-21)31-15-24-18-5-3-4-6-20(18)31/h3-8,13-15,32H,9-12H2,1-2H3,(H2,25,26,27,28)
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n/an/a 165n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195348
PNG
(3-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino...)
Show SMILES Cc1ccc(O)cc1Nc1nccc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H15N5O/c1-12-6-7-13(24)10-15(12)21-18-19-9-8-17(22-18)23-11-20-14-4-2-3-5-16(14)23/h2-11,24H,1H3,(H,19,21,22)
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n/an/a 193n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195332
PNG
(3-(6-amino-2-(1H-benzo[d]imidazol-1-yl)pyrimidin-4...)
Show SMILES Cc1ccc(O)cc1Nc1cc(N)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H16N6O/c1-11-6-7-12(25)8-14(11)21-17-9-16(19)22-18(23-17)24-10-20-13-4-2-3-5-15(13)24/h2-10,25H,1H3,(H3,19,21,22,23)
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n/an/a 294n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195330
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(3-(piperidin-4-...)
Show SMILES Cc1ccc(O)cc1Nc1cc(CCCC2CCNCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C26H30N6O/c1-18-9-10-21(33)16-23(18)30-25-15-20(6-4-5-19-11-13-27-14-12-19)29-26(31-25)32-17-28-22-7-2-3-8-24(22)32/h2-3,7-10,15-17,19,27,33H,4-6,11-14H2,1H3,(H,29,30,31)
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n/an/a 333n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195353
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(dimethylamino)p...)
Show SMILES CN(C)c1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C20H20N6O/c1-13-8-9-14(27)10-16(13)22-18-11-19(25(2)3)24-20(23-18)26-12-21-15-6-4-5-7-17(15)26/h4-12,27H,1-3H3,(H,22,23,24)
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n/an/a 384n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195349
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(morpholinoamino...)
Show SMILES Cc1ccc(O)cc1Nc1cc(NN2CCOCC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C22H23N7O2/c1-15-6-7-16(30)12-18(15)24-20-13-21(27-28-8-10-31-11-9-28)26-22(25-20)29-14-23-17-4-2-3-5-19(17)29/h2-7,12-14,30H,8-11H2,1H3,(H2,24,25,26,27)
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n/an/a 519n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195337
PNG
(2-(1H-benzo[d]imidazol-1-yl)-N-(5-methoxy-2-methyl...)
Show SMILES COc1ccc(C)c(Nc2cc(OCCN3CCOCC3)nc(n2)-n2cnc3ccccc23)c1
Show InChI InChI=1S/C25H28N6O3/c1-18-7-8-19(32-2)15-21(18)27-23-16-24(34-14-11-30-9-12-33-13-10-30)29-25(28-23)31-17-26-20-5-3-4-6-22(20)31/h3-8,15-17H,9-14H2,1-2H3,(H,27,28,29)
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n/an/a 867n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195356
PNG
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-chloropyrimidin-...)
Show SMILES Cc1ccc(O)cc1Nc1cc(Cl)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H14ClN5O/c1-11-6-7-12(25)8-14(11)21-17-9-16(19)22-18(23-17)24-10-20-13-4-2-3-5-15(13)24/h2-10,25H,1H3,(H,21,22,23)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195347
PNG
(3-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino...)
Show SMILES Cc1ccc(cc1Nc1nccc(n1)-n1cnc2ccccc12)C(N)=O
Show InChI InChI=1S/C19H16N6O/c1-12-6-7-13(18(20)26)10-15(12)23-19-21-9-8-17(24-19)25-11-22-14-4-2-3-5-16(14)25/h2-11H,1H3,(H2,20,26)(H,21,23,24)
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n/an/a 5.56E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195341
PNG
(2-(1H-benzo[d]imidazol-1-yl)-N-(5-methoxy-2-methyl...)
Show SMILES COc1ccc(C)c(Nc2ccnc(n2)-n2cnc3ccccc23)c1
Show InChI InChI=1S/C19H17N5O/c1-13-7-8-14(25-2)11-16(13)22-18-9-10-20-19(23-18)24-12-21-15-5-3-4-6-17(15)24/h3-12H,1-2H3,(H,20,22,23)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195355
PNG
(CHEMBL221734 | N-(3-(4-(1H-benzo[d]imidazol-1-yl)p...)
Show SMILES CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-n2cnc3ccccc23)c1
Show InChI InChI=1S/C20H18N6O/c1-13-7-8-15(23-14(2)27)11-17(13)24-20-21-10-9-19(25-20)26-12-22-16-5-3-4-6-18(16)26/h3-12H,1-2H3,(H,23,27)(H,21,24,25)
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n/an/a 8.64E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195336
PNG
(3-(6-(1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino...)
Show SMILES Cc1ccc(O)cc1Nc1cc(ncn1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H15N5O/c1-12-6-7-13(24)8-15(12)22-17-9-18(20-10-19-17)23-11-21-14-4-2-3-5-16(14)23/h2-11,24H,1H3,(H,19,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195335
PNG
(2-(1H-benzo[d]imidazol-1-yl)-N-(5-fluoro-2-methylp...)
Show SMILES Cc1ccc(F)cc1Nc1ccnc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H14FN5/c1-12-6-7-13(19)10-15(12)22-17-8-9-20-18(23-17)24-11-21-14-4-2-3-5-16(14)24/h2-11H,1H3,(H,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195339
PNG
(4-(1H-benzo[d]imidazol-1-yl)-N-(5-methoxy-2-methyl...)
Show SMILES COc1ccc(C)c(Nc2nccc(n2)-n2cnc3ccccc23)c1
Show InChI InChI=1S/C19H17N5O/c1-13-7-8-14(25-2)11-16(13)22-19-20-10-9-18(23-19)24-12-21-15-5-3-4-6-17(15)24/h3-12H,1-2H3,(H,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50195333
PNG
(3-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino...)
Show SMILES Oc1cccc(Nc2nccc(n2)-n2cnc3ccccc23)c1
Show InChI InChI=1S/C17H13N5O/c23-13-5-3-4-12(10-13)20-17-18-9-8-16(21-17)22-11-19-14-6-1-2-7-15(14)22/h1-11,23H,(H,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck by ProFlour assay


Bioorg Med Chem Lett 16: 5973-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%