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Compile Data Set for Download or QSAR

Found 567 hits with Last Name = 'calderwood' and Initial = 'dj'   
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))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092249
PNG
(4-[4-(4-Amino-7-tert-butyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)26-12-18(19-20(23)24-13-25-21(19)26)14-4-8-16(9-5-14)28-17-10-6-15(27)7-11-17/h4-13,27H,1-3H3,(H2,23,24,25)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092241
PNG
(7-tert-Butyl-5-[4-(4-methoxy-phenoxy)-phenyl]-7H-p...)
Show SMILES COc1ccc(Oc2ccc(cc2)-c2cn(c3ncnc(N)c23)C(C)(C)C)cc1
Show InChI InChI=1S/C23H24N4O2/c1-23(2,3)27-13-19(20-21(24)25-14-26-22(20)27)15-5-7-17(8-6-15)29-18-11-9-16(28-4)10-12-18/h5-14H,1-4H3,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092236
PNG
(CHEMBL71541 | {2-[4-(4-Amino-7-isopropyl-7H-pyrrol...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3CO)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O2/c1-14(2)26-11-18(20-21(23)24-13-25-22(20)26)15-7-9-17(10-8-15)28-19-6-4-3-5-16(19)12-27/h3-11,13-14,27H,12H2,1-2H3,(H2,23,24,25)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092244
PNG
(5-[4-(4-Amino-phenoxy)-phenyl]-7-tert-butyl-7H-pyr...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccc(N)cc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-4-8-16(9-5-14)28-17-10-6-15(23)7-11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092240
PNG
(5-[4-(3-Amino-phenoxy)-phenyl]-7-tert-butyl-7H-pyr...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-7-9-16(10-8-14)28-17-6-4-5-15(23)11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)
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n/an/a<3n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092243
PNG
(CHEMBL70034 | {4-[4-(4-Amino-7-isopropyl-7H-pyrrol...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccc(CO)cc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O2/c1-14(2)26-11-19(20-21(23)24-13-25-22(20)26)16-5-9-18(10-6-16)28-17-7-3-15(12-27)4-8-17/h3-11,13-14,27H,12H2,1-2H3,(H2,23,24,25)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092254
PNG
(7-Isopropyl-5-[4-(2-nitro-phenoxy)-phenyl]-7H-pyrr...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H19N5O3/c1-13(2)25-11-16(19-20(22)23-12-24-21(19)25)14-7-9-15(10-8-14)29-18-6-4-3-5-17(18)26(27)28/h3-13H,1-2H3,(H2,22,23,24)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092256
PNG
(2-[4-(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimid...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3C#N)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H19N5O/c1-14(2)27-12-18(20-21(24)25-13-26-22(20)27)15-7-9-17(10-8-15)28-19-6-4-3-5-16(19)11-23/h3-10,12-14H,1-2H3,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092248
PNG
(4-Amino-7-cyclopentyl-5-(4-phenoxy-phenyl)-7H-pyrr...)
Show SMILES Nc1ncnc2n(C3CCCC3)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C24H21N5O/c25-14-20-21(16-10-12-19(13-11-16)30-18-8-2-1-3-9-18)22-23(26)27-15-28-24(22)29(20)17-6-4-5-7-17/h1-3,8-13,15,17H,4-7H2,(H2,26,27,28)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 4n/an/an/an/a7.422



Abbott Bioresearch Center



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


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 5n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092235
PNG
(5-[4-(2-Amino-phenoxy)-phenyl]-7-isopropyl-7H-pyrr...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H21N5O/c1-13(2)26-11-16(19-20(23)24-12-25-21(19)26)14-7-9-15(10-8-14)27-18-6-4-3-5-17(18)22/h3-13H,22H2,1-2H3,(H2,23,24,25)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092226
PNG
(4-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1
Show InChI InChI=1S/C23H22N4O3/c24-22-21-18(14-6-8-17(9-7-14)30-16-4-2-1-3-5-16)12-27(23(21)26-13-25-22)15-10-19(28)20(29)11-15/h1-9,12-13,15,19-20,28-29H,10-11H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092239
PNG
(7-Cyclopentyl-5-[4-(2-methoxy-phenoxy)-phenyl]-7H-...)
Show SMILES COc1ccccc1Oc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H24N4O2/c1-29-20-8-4-5-9-21(20)30-18-12-10-16(11-13-18)19-14-28(17-6-2-3-7-17)24-22(19)23(25)26-15-27-24/h4-5,8-15,17H,2-3,6-7H2,1H3,(H2,25,26,27)
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n/an/a 6n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092231
PNG
((4-Phenoxy-phenyl)-quinazolin-4-yl-amine | CHEMBL3...)
Show SMILES N(c1ccc(Oc2ccccc2)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C20H15N3O/c1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-14H,(H,21,22,23)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092234
PNG
(2-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4O)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(16-5-1-2-6-16)23(21)26-14-25-22)15-9-11-17(12-10-15)29-20-8-4-3-7-19(20)28/h3-4,7-14,16,28H,1-2,5-6H2,(H2,24,25,26)
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n/an/a 8n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092232
PNG
(2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O
Show InChI InChI=1S/C23H22N4O2/c24-22-21-18(13-27(23(21)26-14-25-22)19-7-4-8-20(19)28)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-14,19-20,28H,4,7-8H2,(H2,24,25,26)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM8807
PNG
(CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-
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n/an/a 10n/an/an/an/a7.422



Abbott Bioresearch Center



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


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092252
PNG
(6-Chloro-7-cyclopentyl-5-(4-phenoxy-phenyl)-7H-pyr...)
Show SMILES Nc1ncnc2n(C3CCCC3)c(Cl)c(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C23H21ClN4O/c24-21-19(15-10-12-18(13-11-15)29-17-8-2-1-3-9-17)20-22(25)26-14-27-23(20)28(21)16-6-4-5-7-16/h1-3,8-14,16H,4-7H2,(H2,25,26,27)
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n/an/a 11n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092233
PNG
(7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]...)
Show SMILES CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H20N4O/c1-14(2)25-12-18(19-20(22)23-13-24-21(19)25)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24)
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BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 12.5n/an/an/an/an/an/a



Abbott Bioresearch Center



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


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50175210
PNG
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36)
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n/an/a 13n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 13n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092225
PNG
(7-tert-Butyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)26-13-18(19-20(23)24-14-25-21(19)26)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-14H,1-3H3,(H2,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092240
PNG
(5-[4-(3-Amino-phenoxy)-phenyl]-7-tert-butyl-7H-pyr...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-7-9-16(10-8-14)28-17-6-4-5-15(23)11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)
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n/an/a 15n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50114585
PNG
((R)-7-[4-(4-Methyl-piperazin-1-yl)-cyclohexyl]-5-(...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23+
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n/an/a 15n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase (lck64-509)


Bioorg Med Chem Lett 12: 1683-6 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZGR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM8793
PNG
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23-
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n/an/a 15n/an/an/an/a7.422



Abbott Bioresearch Center



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


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092228
PNG
(4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP


Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092250
PNG
(CHEMBL302279 | [4-Amino-7-cyclopentyl-5-(4-phenoxy...)
Show SMILES Nc1ncnc2n(C3CCCC3)c(CO)c(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C24H24N4O2/c25-23-22-21(16-10-12-19(13-11-16)30-18-8-2-1-3-9-18)20(14-29)28(17-6-4-5-7-17)24(22)27-15-26-23/h1-3,8-13,15,17,29H,4-7,14H2,(H2,25,26,27)
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n/an/a 17n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 microM ATP.


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092249
PNG
(4-[4-(4-Amino-7-tert-butyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)26-12-18(19-20(23)24-13-25-21(19)26)14-4-8-16(9-5-14)28-17-10-6-15(27)7-11-17/h4-13,27H,1-3H3,(H2,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50092244
PNG
(5-[4-(4-Amino-phenoxy)-phenyl]-7-tert-butyl-7H-pyr...)
Show SMILES CC(C)(C)n1cc(-c2ccc(Oc3ccc(N)cc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-22(2,3)27-12-18(19-20(24)25-13-26-21(19)27)14-4-8-16(9-5-14)28-17-10-6-15(23)7-11-17/h4-13H,23H2,1-3H3,(H2,24,25,26)
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n/an/a 19n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase (catalytic domain)


Bioorg Med Chem Lett 10: 2171-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DB813K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM8806
PNG
((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1
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n/an/a 19n/an/an/an/a7.422



Abbott Bioresearch Center



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


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1021/jm0503244
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50145570
PNG
(1H-Indole-2-carboxylic acid (4-{4-amino-1-[4-(4-me...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:23.25,wD:26.32,(1.45,-1.92,;1.52,-3.48,;2.9,-4.2,;2.97,-5.74,;4.32,-6.46,;5.63,-5.64,;5.57,-4.09,;4.21,-3.37,;4.2,-1.83,;5.51,-1.03,;6.86,-1.8,;5.49,.51,;6.63,1.55,;5.98,2.93,;6.61,4.35,;5.7,5.59,;4.18,5.43,;3.55,4.03,;4.46,2.77,;4.16,1.25,;4.39,-8,;5.62,-8.89,;5.14,-10.36,;6.09,-11.55,;7.63,-11.32,;8.58,-12.52,;8.02,-13.95,;6.49,-14.19,;5.53,-12.99,;8.99,-15.14,;10.5,-14.91,;11.47,-16.1,;10.91,-17.54,;11.88,-18.76,;9.38,-17.78,;8.43,-16.58,;3.61,-10.36,;2.57,-11.5,;1.08,-11.17,;.61,-9.71,;1.64,-8.57,;1.17,-7.1,;3.13,-8.89,)|
Show InChI InChI=1S/C32H37N9O2/c1-39-13-15-40(16-14-39)22-8-10-23(11-9-22)41-31-28(30(33)34-19-35-31)29(38-41)21-7-12-25(27(18-21)43-2)37-32(42)26-17-20-5-3-4-6-24(20)36-26/h3-7,12,17-19,22-23,36H,8-11,13-16H2,1-2H3,(H,37,42)(H2,33,34,35)/t22-,23-
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
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