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Compile Data Set for Download or QSAR

Found 336 hits with Last Name = 'fang' and Initial = 'q'   
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))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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0.540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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1.70n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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3.5n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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7.20n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRC


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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8.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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13n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Fyn protein kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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190n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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333n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO in presence of D-alanine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


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



Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


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



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


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



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


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



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


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



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13357
PNG
(CHEMBL312933 | N-(2-chloro-6-methylphenyl)-2-({6-[...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-13-4-2-5-15(23)20(13)28-21(30)14-8-9-16-17(12-14)31-22(25-16)27-19-7-3-6-18(26-19)24-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13272
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12q |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCN3CCOCC3)n2)s1
Show InChI InChI=1S/C23H27ClN6O2S/c1-16-5-2-6-17(24)21(16)29-22(31)18-15-26-23(33-18)28-20-8-3-7-19(27-20)25-9-4-10-30-11-13-32-14-12-30/h2-3,5-8,15H,4,9-14H2,1H3,(H,29,31)(H2,25,26,27,28)
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Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


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



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


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



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13265
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12j |...)
Show SMILES Cc1cccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1S/C17H15ClN4OS/c1-10-5-3-7-12(18)15(10)22-16(23)13-9-19-17(24-13)21-14-8-4-6-11(2)20-14/h3-9H,1-2H3,(H,22,23)(H,19,20,21)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13278
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12w |...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCC(CO)CC1
Show InChI InChI=1S/C22H25ClN6O2S/c1-13-4-3-5-16(23)20(13)28-21(31)17-11-24-22(32-17)27-18-10-19(26-14(2)25-18)29-8-6-15(12-30)7-9-29/h3-5,10-11,15,30H,6-9,12H2,1-2H3,(H,28,31)(H,24,25,26,27)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13276
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12u |...)
Show SMILES Cc1nc(NCCCN2CCOCC2)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1S/C23H28ClN7O2S/c1-15-5-3-6-17(24)21(15)30-22(32)18-14-26-23(34-18)29-20-13-19(27-16(2)28-20)25-7-4-8-31-9-11-33-12-10-31/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,30,32)(H2,25,26,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM50131170
PNG
(2-(4-Morpholin-4-ylmethyl-pyridin-2-ylamino)-benzo...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN4CCOCC4)ccn3)sc2c1
Show InChI InChI=1S/C25H24ClN5O2S/c1-16-3-2-4-19(26)23(16)30-24(32)18-5-6-20-21(14-18)34-25(28-20)29-22-13-17(7-8-27-22)15-31-9-11-33-12-10-31/h2-8,13-14H,9-12,15H2,1H3,(H,30,32)(H,27,28,29)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13268
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12m |...)
Show SMILES Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1S/C17H16ClN5OS/c1-9-5-4-6-12(18)15(9)23-16(24)13-8-19-17(25-13)22-14-7-10(2)20-11(3)21-14/h4-8H,1-3H3,(H,23,24)(H,19,20,21,22)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM50131157
PNG
(2-[4-(4-Methylamino-piperazin-1-ylmethyl)-pyridin-...)
Show SMILES CNN1CCN(Cc2ccnc(Nc3nc4ccc(cc4s3)C(=O)Nc3c(C)cccc3Cl)c2)CC1
Show InChI InChI=1S/C26H28ClN7OS/c1-17-4-3-5-20(27)24(17)32-25(35)19-6-7-21-22(15-19)36-26(30-21)31-23-14-18(8-9-29-23)16-33-10-12-34(28-2)13-11-33/h3-9,14-15,28H,10-13,16H2,1-2H3,(H,32,35)(H,29,30,31)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131114
PNG
(2-{6-Methyl-2-[(tetrahydro-furan-2-ylmethyl)-amino...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131117
PNG
(2-[2-(2-Hydroxy-ethylamino)-6-methyl-pyrimidin-4-y...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
Show InChI InChI=1S/C22H21ClN6O2S/c1-12-4-3-5-15(23)19(12)29-20(31)14-6-7-16-17(11-14)32-22(26-16)28-18-10-13(2)25-21(27-18)24-8-9-30/h3-7,10-11,30H,8-9H2,1-2H3,(H,29,31)(H2,24,25,26,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13259
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12d |...)
Show SMILES Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C17H16N4OS/c1-11-6-5-7-12(2)15(11)21-16(22)13-10-19-17(23-13)20-14-8-3-4-9-18-14/h3-10H,1-2H3,(H,21,22)(H,18,19,20)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13256
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12a |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C16H13ClN4OS/c1-10-5-4-6-11(17)14(10)21-15(22)12-9-19-16(23-12)20-13-7-2-3-8-18-13/h2-9H,1H3,(H,21,22)(H,18,19,20)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM13275
PNG
(BMS-354825 2-Heteroarylamino-thiazole Analog 12t |...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCOCC2)s1
Show InChI InChI=1S/C20H21ClN6O2S/c1-12-4-3-5-14(21)18(12)26-19(28)15-11-22-20(30-15)25-16-10-17(24-13(2)23-16)27-6-8-29-9-7-27/h3-5,10-11H,6-9H2,1-2H3,(H,26,28)(H,22,23,24,25)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM50131159
PNG
(2-[6-(2-Acetylamino-ethylamino)-pyridin-2-ylamino]...)
Show SMILES CC(=O)NCCNc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1S/C24H23ClN6O2S/c1-14-5-3-6-17(25)22(14)31-23(33)16-9-10-18-19(13-16)34-24(28-18)30-21-8-4-7-20(29-21)27-12-11-26-15(2)32/h3-10,13H,11-12H2,1-2H3,(H,26,32)(H,31,33)(H2,27,28,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131117
PNG
(2-[2-(2-Hydroxy-ethylamino)-6-methyl-pyrimidin-4-y...)
Show SMILES Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
Show InChI InChI=1S/C22H21ClN6O2S/c1-12-4-3-5-15(23)19(12)29-20(31)14-6-7-16-17(11-14)32-22(26-16)28-18-10-13(2)25-21(27-18)24-8-9-30/h3-7,10-11,30H,8-9H2,1-2H3,(H,29,31)(H2,24,25,26,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131155
PNG
(2-(6-Amino-pyridin-2-ylamino)-benzothiazole-6-carb...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(N)n3)sc2c1
Show InChI InChI=1S/C20H16ClN5OS/c1-11-4-2-5-13(21)18(11)26-19(27)12-8-9-14-15(10-12)28-20(23-14)25-17-7-3-6-16(22)24-17/h2-10H,1H3,(H,26,27)(H3,22,23,24,25)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50131131
PNG
(2-(6-Methylamino-pyrimidin-4-ylamino)-benzothiazol...)
Show SMILES CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
Show InChI InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)18(11)27-19(28)12-6-7-14-15(8-12)29-20(25-14)26-17-9-16(22-2)23-10-24-17/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13270
PNG
(2-[(2,6-dimethylpyrimidin-4-yl)amino]-N-(2,4,6-tri...)
Show SMILES Cc1cc(C)c(NC(=O)c2cnc(Nc3cc(C)nc(C)n3)s2)c(C)c1
Show InChI InChI=1S/C19H21N5OS/c1-10-6-11(2)17(12(3)7-10)24-18(25)15-9-20-19(26-15)23-16-8-13(4)21-14(5)22-16/h6-9H,1-5H3,(H,24,25)(H,20,21,22,23)
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Bristol-Myers Squibb Company



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 49: 6819-32 (2006)


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


(Homo sapiens (Human))
BDBM50131142
PNG
(2-[2-(2-Hydroxy-ethylamino)-pyrimidin-4-ylamino]-b...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccnc(NCCO)n3)sc2c1
Show InChI InChI=1S/C21H19ClN6O2S/c1-12-3-2-4-14(22)18(12)28-19(30)13-5-6-15-16(11-13)31-21(25-15)27-17-7-8-23-20(26-17)24-9-10-29/h2-8,11,29H,9-10H2,1H3,(H,28,30)(H2,23,24,25,26,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129325
PNG
(2-[(2-Hydroxymethyl-cyclopropanecarbonyl)-amino]-b...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3CO)sc2c1
Show InChI InChI=1S/C20H18ClN3O3S/c1-10-3-2-4-14(21)17(10)23-18(26)11-5-6-15-16(8-11)28-20(22-15)24-19(27)13-7-12(13)9-25/h2-6,8,12-13,25H,7,9H2,1H3,(H,23,26)(H,22,24,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Lck protein tyrosine kinase


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase


Bioorg Med Chem Lett 13: 2587-90 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78V4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50129307
PNG
(2-(3-tert-Butyl-ureido)-benzothiazole-6-carboxylic...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Show InChI InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphorylation ofan exogenous substrate by human p56 Lck tyrosine kinase expressed as a Histagged protein in insect cells usi...


Bioorg Med Chem Lett 13: 2145-9 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BZ1
More data for this
Ligand-Target Pair
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