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Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'lin' and Initial = 'ta'   
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))
BDBM50112911
PNG
((2-Chloro-6-methyl-phenyl)-(6,7-dimethoxy-imidazo[...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cncn23)c1OC
Show InChI InChI=1S/C19H17ClN4O2/c1-11-5-4-6-12(20)16(11)22-19-14-9-21-10-24(14)13-7-8-15(25-2)18(26-3)17(13)23-19/h4-10H,1-3H3,(H,22,23)
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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
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112947
PNG
((6,7-Dimethoxy-imidazo[1,5-a]quinoxalin-4-yl)-(2,6...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3C)c3cncn23)c1OC
Show InChI InChI=1S/C20H20N4O2/c1-12-6-5-7-13(2)17(12)22-20-15-10-21-11-24(15)14-8-9-16(25-3)19(26-4)18(14)23-20/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
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327390
PNG
(5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-...)
Show SMILES CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN5S/c1-13(2)25-21-24-12-19(28-21)18-11-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-10-23-16/h3-13H,1-2H3,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MAPK p38alpha


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112938
PNG
((E)-4-(2-chloro-6-methylphenylamino)-6,7-dimethoxy...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CN=O)n23)c1OC
Show InChI InChI=1S/C20H18ClN5O3/c1-11-5-4-6-12(21)17(11)24-20-14-9-22-16(10-23-27)26(14)13-7-8-15(28-2)19(29-3)18(13)25-20/h4-9H,10H2,1-3H3,(H,24,25)
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n/an/a 4.30n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186457
PNG
(1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...)
Show SMILES COc1cc(C)c(Sc2cnc(Nc3cc(C)cc(C)n3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H29N5O3S2/c1-15-10-17(3)27-22(11-15)28-25-26-14-23(35-25)34-21-13-19(20(33-5)12-16(21)2)24(32)30-8-6-29(7-9-30)18(4)31/h10-14H,6-9H2,1-5H3,(H,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112948
PNG
((4-(2-chloro-6-methylphenylamino)-6,7-dimethoxyimi...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CO)n23)c1OC
Show InChI InChI=1S/C20H19ClN4O3/c1-11-5-4-6-12(21)17(11)23-20-14-9-22-16(10-26)25(14)13-7-8-15(27-2)19(28-3)18(13)24-20/h4-9,26H,10H2,1-3H3,(H,23,24)
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n/an/a 6.20n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186478
PNG
(1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylt...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C21H20BrN5O3S2/c1-13(28)26-7-9-27(10-8-26)20(30)15-11-14(5-6-16(15)29)31-19-12-23-21(32-19)25-18-4-2-3-17(22)24-18/h2-6,11-12,29H,7-10H2,1H3,(H,23,24,25)
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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
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186484
PNG
(1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cc(C)cc(C)n3)s2)ccc1O
Show InChI InChI=1S/C23H25N5O3S2/c1-14-10-15(2)25-20(11-14)26-23-24-13-21(33-23)32-17-4-5-19(30)18(12-17)22(31)28-8-6-27(7-9-28)16(3)29/h4-5,10-13,30H,6-9H2,1-3H3,(H,24,25,26)
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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
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186487
PNG
(CHEMBL209881 | N-(5-(4-methoxy-2-methyl-5-(morphol...)
Show SMILES CNCc1ccc([nH]1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCOCC3)c(OC)cc2C)s1
Show InChI InChI=1S/C23H27N5O4S2/c1-14-10-18(31-3)16(22(30)28-6-8-32-9-7-28)11-19(14)33-20-13-25-23(34-20)27-21(29)17-5-4-15(26-17)12-24-2/h4-5,10-11,13,24,26H,6-9,12H2,1-3H3,(H,25,27,29)
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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
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112926
PNG
((2-Chloro-6-methyl-phenyl)-(6,7-dimethoxy-1-methyl...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C)n23)c1OC
Show InChI InChI=1S/C20H19ClN4O2/c1-11-6-5-7-13(21)17(11)23-20-15-10-22-12(2)25(15)14-8-9-16(26-3)19(27-4)18(14)24-20/h5-10H,1-4H3,(H,23,24)
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n/an/a 7.40n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390795
PNG
(CHEMBL2070619)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112920
PNG
((2-Chloro-6-methyl-phenyl)-imidazo[1,5-a]quinoxali...)
Show SMILES Cc1cccc(Cl)c1Nc1nc2ccccc2n2cncc12
Show InChI InChI=1S/C17H13ClN4/c1-11-5-4-6-12(18)16(11)21-17-15-9-19-10-22(15)14-8-3-2-7-13(14)20-17/h2-10H,1H3,(H,20,21)
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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
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112931
PNG
((2,6-Dichloro-phenyl)-imidazo[1,5-a]quinoxalin-4-y...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2ccccc2n2cncc12
Show InChI InChI=1S/C16H10Cl2N4/c17-10-4-3-5-11(18)15(10)21-16-14-8-19-9-22(14)13-7-2-1-6-12(13)20-16/h1-9H,(H,20,21)
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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
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186459
PNG
(CHEMBL211842 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H26N4O4S2/c1-13-10-17(30-3)16(21(29)26-8-6-25(7-9-26)14(2)27)11-18(13)31-19-12-23-22(32-19)24-20(28)15-4-5-15/h10-12,15H,4-9H2,1-3H3,(H,23,24,28)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112956
PNG
(4-(2-Chloro-6-methyl-phenylamino)-6,7-dimethoxy-im...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C=O)n23)c1OC
Show InChI InChI=1S/C20H17ClN4O3/c1-11-5-4-6-12(21)17(11)23-20-14-9-22-16(10-26)25(14)13-7-8-15(27-2)19(28-3)18(13)24-20/h4-10H,1-3H3,(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
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390794
PNG
(CHEMBL2070618)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C20H15Cl2N7O2S/c1-23-19(30)29-20-26-9-16(32-20)13-7-14(17-11(21)5-10(31-2)6-12(17)22)28-18(27-13)15-8-24-3-4-25-15/h3-9H,1-2H3,(H2,23,26,29,30)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186456
PNG
(CHEMBL211355 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(O)cc2C)s1
Show InChI InChI=1S/C26H29N5O4S2/c1-16-13-21(33)20(25(35)31-11-9-30(10-12-31)17(2)32)14-22(16)36-23-15-27-26(37-23)28-24(34)18-5-7-19(8-6-18)29(3)4/h5-8,13-15,33H,9-12H2,1-4H3,(H,27,28,34)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186461
PNG
(CHEMBL209163 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc[nH]3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25N5O4S2/c1-14-11-18(32-3)16(22(31)28-9-7-27(8-10-28)15(2)29)12-19(14)33-20-13-25-23(34-20)26-21(30)17-5-4-6-24-17/h4-6,11-13,24H,7-10H2,1-3H3,(H,25,26,30)
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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
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186474
PNG
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C21H19BrN4O4S2/c22-16-2-1-3-17(24-16)25-21-23-11-18(32-21)31-13-4-5-15(27)14(10-13)19(28)26-8-6-12(7-9-26)20(29)30/h1-5,10-12,27H,6-9H2,(H,29,30)(H,23,24,25)
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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
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390779
PNG
(CHEMBL2070497)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6OS/c1-3-4-26-21-27-11-18(31-21)15-9-16(19-13(22)7-12(30-2)8-14(19)23)29-20(28-15)17-10-24-5-6-25-17/h5-11H,3-4H2,1-2H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112925
PNG
((2,6-Dimethyl-phenyl)-imidazo[1,5-a]quinoxalin-4-y...)
Show SMILES Cc1cccc(C)c1Nc1nc2ccccc2n2cncc12
Show InChI InChI=1S/C18H16N4/c1-12-6-5-7-13(2)17(12)21-18-16-10-19-11-22(16)15-9-4-3-8-14(15)20-18/h3-11H,1-2H3,(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186480
PNG
(CHEMBL379114 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H31N5O4S2/c1-17-14-22(36-5)21(26(35)32-12-10-31(11-13-32)18(2)33)15-23(17)37-24-16-28-27(38-24)29-25(34)19-6-8-20(9-7-19)30(3)4/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34)
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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
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit Cytochrome P450 2C9 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186460
PNG
(CHEMBL209148 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186479
PNG
(CHEMBL208901 | N-(5-(5-(1-(2-(dimethylamino)acetyl...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C24H31N5O4S2/c1-15-11-18(33-4)17(23(32)29-9-7-28(8-10-29)20(30)14-27(2)3)12-19(15)34-21-13-25-24(35-21)26-22(31)16-5-6-16/h11-13,16H,5-10,14H2,1-4H3,(H,25,26,31)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186470
PNG
(CHEMBL211291 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1
Show InChI InChI=1S/C27H30N4O5S2/c1-17-13-22(36-4)21(26(34)31-11-9-30(10-12-31)18(2)32)14-23(17)37-24-15-28-27(38-24)29-25(33)20-7-5-19(6-8-20)16-35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,29,33)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186496
PNG
(CHEMBL210985 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES CCNCc1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(OC)cc2C)s1
Show InChI InChI=1S/C28H33N5O4S2/c1-5-29-16-20-6-8-21(9-7-20)26(35)31-28-30-17-25(39-28)38-24-15-22(23(37-4)14-18(24)2)27(36)33-12-10-32(11-13-33)19(3)34/h6-9,14-15,17,29H,5,10-13,16H2,1-4H3,(H,30,31,35)
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112935
PNG
((2-Chloro-4,6-dimethyl-phenyl)-imidazo[1,5-a]quino...)
Show SMILES Cc1cc(C)c(Nc2nc3ccccc3n3cncc23)c(Cl)c1
Show InChI InChI=1S/C18H15ClN4/c1-11-7-12(2)17(13(19)8-11)22-18-16-9-20-10-23(16)15-6-4-3-5-14(15)21-18/h3-10H,1-2H3,(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186472
PNG
(CHEMBL209004 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
Show InChI InChI=1S/C25H27N5O4S2/c1-16(31)29-10-12-30(13-11-29)24(34)20-14-19(8-9-21(20)32)35-22-15-26-25(36-22)27-23(33)17-4-6-18(7-5-17)28(2)3/h4-9,14-15,32H,10-13H2,1-3H3,(H,26,27,33)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112934
PNG
((2-Chloro-phenyl)-(3-methyl-imidazo[1,5-a]quinoxal...)
Show SMILES Cc1ncn2c1c(Nc1ccccc1Cl)nc1ccccc21
Show InChI InChI=1S/C17H13ClN4/c1-11-16-17(20-13-7-3-2-6-12(13)18)21-14-8-4-5-9-15(14)22(16)10-19-11/h2-10H,1H3,(H,20,21)
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n/an/a 30n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186466
PNG
(1-(4-(2-hydroxy-5-(2-(pyridin-2-ylamino)thiazol-5-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1O
Show InChI InChI=1S/C21H21N5O3S2/c1-14(27)25-8-10-26(11-9-25)20(29)16-12-15(5-6-17(16)28)30-19-13-23-21(31-19)24-18-4-2-3-7-22-18/h2-7,12-13,28H,8-11H2,1H3,(H,22,23,24)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390795
PNG
(CHEMBL2070619)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390794
PNG
(CHEMBL2070618)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C20H15Cl2N7O2S/c1-23-19(30)29-20-26-9-16(32-20)13-7-14(17-11(21)5-10(31-2)6-12(17)22)28-18(27-13)15-8-24-3-4-25-15/h3-9H,1-2H3,(H2,23,26,29,30)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186467
PNG
(CHEMBL210528 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1ccc(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H29N5O4S2/c1-17(32)30-11-13-31(14-12-30)25(34)21-15-20(9-10-22(21)35-4)36-23-16-27-26(37-23)28-24(33)18-5-7-19(8-6-18)29(2)3/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,33)
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186488
PNG
(1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...)
Show SMILES OC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O
Show InChI InChI=1S/C21H19BrN4O4S2/c22-16-4-1-5-17(24-16)25-21-23-10-18(32-21)31-13-6-7-15(27)14(9-13)19(28)26-8-2-3-12(11-26)20(29)30/h1,4-7,9-10,12,27H,2-3,8,11H2,(H,29,30)(H,23,24,25)
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182855
PNG
(CHEMBL381296 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(NCc1ccc([nH]1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
Show InChI InChI=1S/C31H42N6O3S2/c1-19-14-23(15-25(20(19)2)29(40)37-12-10-36(11-13-37)22(4)38)18-41-27-17-33-30(42-27)35-28(39)26-9-8-24(34-26)16-32-21(3)31(5,6)7/h8-9,14-15,17,21,32,34H,10-13,16,18H2,1-7H3,(H,33,35,39)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390779
PNG
(CHEMBL2070497)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6OS/c1-3-4-26-21-27-11-18(31-21)15-9-16(19-13(22)7-12(30-2)8-14(19)23)29-20(28-15)17-10-24-5-6-25-17/h5-11H,3-4H2,1-2H3,(H,26,27)
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390791
PNG
(CHEMBL2070615)
Show SMILES CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112921
PNG
(CHEMBL25969 | Imidazo[1,5-a]quinoxalin-4-yl-(2,4,6...)
Show SMILES Cc1cc(C)c(Nc2nc3ccccc3n3cncc23)c(C)c1
Show InChI InChI=1S/C19H18N4/c1-12-8-13(2)18(14(3)9-12)22-19-17-10-20-11-23(17)16-7-5-4-6-15(16)21-19/h4-11H,1-3H3,(H,21,22)
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n/an/a 40n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50182863
PNG
(CHEMBL207329 | N-(5-(3-(1-acetylpiperazine-4-carbo...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(cc3)N3CCNCC3)s2)cc(C)c1C
Show InChI InChI=1S/C30H36N6O3S2/c1-20-16-23(17-26(21(20)2)29(39)36-14-12-34(13-15-36)22(3)37)19-40-27-18-32-30(41-27)33-28(38)24-4-6-25(7-5-24)35-10-8-31-9-11-35/h4-7,16-18,31H,8-15,19H2,1-3H3,(H,32,33,38)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 2411-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.115
BindingDB Entry DOI: 10.7270/Q2Z60NNR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50186477
PNG
(CHEMBL380058 | N-(5-(5-(1-acetylpiperazine-4-carbo...)
Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(OC(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H32N4O5S2/c1-17(2)37-21-8-6-20(7-9-21)26(34)30-28-29-16-25(39-28)38-24-15-22(23(36-5)14-18(24)3)27(35)32-12-10-31(11-13-32)19(4)33/h6-9,14-17H,10-13H2,1-5H3,(H,29,30,34)
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Itk


Bioorg Med Chem Lett 16: 3706-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.060
BindingDB Entry DOI: 10.7270/Q20C4VBR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112919
PNG
((2,6-Dibromo-phenyl)-imidazo[1,5-a]quinoxalin-4-yl...)
Show SMILES Brc1cccc(Br)c1Nc1nc2ccccc2n2cncc12
Show InChI InChI=1S/C16H10Br2N4/c17-10-4-3-5-11(18)15(10)21-16-14-8-19-9-22(14)13-7-2-1-6-12(13)20-16/h1-9H,(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50112914
PNG
(1-(4-(2-chloro-6-methylphenylamino)-6,7-dimethoxyi...)
Show SMILES COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C(C)O)n23)c1OC
Show InChI InChI=1S/C21H21ClN4O3/c1-11-6-5-7-13(22)17(11)24-20-15-10-23-21(12(2)27)26(15)14-8-9-16(28-3)19(29-4)18(14)25-20/h5-10,12,27H,1-4H3,(H,24,25)
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n/an/a 53n/an/an/an/an/an/a



Bristol Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression syst...


Bioorg Med Chem Lett 12: 1361-4 (2002)


BindingDB Entry DOI: 10.7270/Q2R78DJ1
More data for this
Ligand-Target Pair
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