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Compile Data Set for Download or QSAR

Found 421 hits with Last Name = 'wetter' and Initial = 'sk'   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))		BDBM6867
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3c ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-15(19)22-16(23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 0.300n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))		BDBM6870
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3f ...)
Show SMILES Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,(H2,16,22,23)(H3,15,17,18,19)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))		BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 0.600n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290345
PNG
(7-(3,4-Difluoro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(F)c(F)c3)c12
Show InChI InChI=1S/C21H17F3N2O/c22-15-5-7-16(8-6-15)26-21-14(2-1-3-17(21)20(12-27)25-26)10-13-4-9-18(23)19(24)11-13/h4-9,11-12,14H,1-3,10H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))		BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6872
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3h ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1F
Show InChI InChI=1S/C13H11FN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19)
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n/an/a 2.10n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290353
PNG
(CHEMBL422241 | [1-[1-(4-Fluoro-phenyl)-7-naphthale...)
Show SMILES Fc1ccc(cc1)-n1nc(\C=N\c2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C31H26FN3/c32-25-16-18-27(19-17-25)35-31-24(20-23-10-6-9-22-8-4-5-14-28(22)23)11-7-15-29(31)30(34-35)21-33-26-12-2-1-3-13-26/h1-6,8-10,12-14,16-19,21,24H,7,11,15,20H2/b33-21+
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290364
PNG
(7-Benzyl-1-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-1H...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccccc3)c12
Show InChI InChI=1S/C21H19FN2O/c22-17-9-11-18(12-10-17)24-21-16(13-15-5-2-1-3-6-15)7-4-8-19(21)20(14-25)23-24/h1-3,5-6,9-12,14,16H,4,7-8,13H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6868
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3d ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F
Show InChI InChI=1S/C15H11F3N6O3S/c16-9-5-6-10(17)12(18)11(9)13(25)24-14(19)22-15(23-24)21-7-1-3-8(4-2-7)28(20,26)27/h1-6H,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 3.20n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290359
PNG
(1-(4-Fluoro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C25H21FN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,16,19H,4,8,10,15H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6880
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)n(n1)C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-14(22-13(18)23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 3.20n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6871
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3g ...)
Show SMILES Cc1cc(C)c(s1)C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C15H16N6O3S2/c1-8-7-9(2)25-12(8)13(22)21-14(16)19-15(20-21)18-10-3-5-11(6-4-10)26(17,23)24/h3-7H,1-2H3,(H2,17,23,24)(H3,16,18,19,20)
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n/an/a 3.20n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6877
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O3S/c16-10-2-1-3-11(17)12(10)21-15(25)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,26)27/h1-7H,(H,21,25)(H2,19,26,27)(H3,18,20,22,23)
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n/an/a 3.70n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278651
PNG
(CHEMBL470219 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCCC5)cc4)sc23)cc1Cl
Show InChI InChI=1S/C22H20ClFN6S/c23-17-11-16(7-8-18(17)24)27-20-19-21(26-13-25-20)29-22(31-19)28-15-5-3-14(4-6-15)12-30-9-1-2-10-30/h3-8,11,13H,1-2,9-10,12H2,(H2,25,26,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6869
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3e ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1cccs1
Show InChI InChI=1S/C13H12N6O3S2/c14-12-17-13(18-19(12)11(20)10-2-1-7-23-10)16-8-3-5-9(6-4-8)24(15,21)22/h1-7H,(H2,15,21,22)(H3,14,16,17,18)
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n/an/a 4.5n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6870
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3f ...)
Show SMILES Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,(H2,16,22,23)(H3,15,17,18,19)
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n/an/a 4.80n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290336
PNG
(Acetic acid acetoxy-[1-(4-fluoro-phenyl)-7-naphtha...)
Show SMILES CC(=O)OC(OC(C)=O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27FN2O4/c1-18(33)35-29(36-19(2)34)27-26-12-6-10-22(17-21-9-5-8-20-7-3-4-11-25(20)21)28(26)32(31-27)24-15-13-23(30)14-16-24/h3-5,7-9,11,13-16,22,29H,6,10,12,17H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278702
PNG
(CHEMBL471058 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES CCc1nccn1Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1
Show InChI InChI=1S/C23H19ClFN7S/c1-2-19-26-9-10-32(19)12-14-3-5-15(6-4-14)30-23-31-22-20(33-23)21(27-13-28-22)29-16-7-8-18(25)17(24)11-16/h3-11,13H,2,12H2,1H3,(H2,27,28,29,30,31)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290361
PNG
(7-Naphthalen-1-ylmethyl-1-phenyl-4,5,6,7-tetrahydr...)
Show SMILES O=Cc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c28-17-24-23-15-7-11-20(25(23)27(26-24)21-12-2-1-3-13-21)16-19-10-6-9-18-8-4-5-14-22(18)19/h1-6,8-10,12-14,17,20H,7,11,15-16H2
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 6.40n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290333
PNG
(7-(4-Fluoro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,7-te...)
Show SMILES Fc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18F2N2O/c22-16-6-4-14(5-7-16)12-15-2-1-3-19-20(13-26)24-25(21(15)19)18-10-8-17(23)9-11-18/h4-11,13,15H,1-3,12H2
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278535
PNG
(4-(7-(3-chlorophenylamino)thiazolo[4,5-d]pyrimidin...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4cccc(Cl)c4)c3s2)cc1
Show InChI InChI=1S/C17H13ClN6O2S2/c18-10-2-1-3-12(8-10)22-15-14-16(21-9-20-15)24-17(27-14)23-11-4-6-13(7-5-11)28(19,25)26/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290356
PNG
(1-(4-Fluoro-phenyl)-7-(4-methyl-benzyl)-4,5,6,7-te...)
Show SMILES Cc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H21FN2O/c1-15-5-7-16(8-6-15)13-17-3-2-4-20-21(14-26)24-25(22(17)20)19-11-9-18(23)10-12-19/h5-12,14,17H,2-4,13H2,1H3
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n/an/a 7.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM6867
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3c ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-15(19)22-16(23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 8n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278537
PNG
(4-(7-(3-chloro-4-fluorophenylamino)thiazolo[4,5-d]...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1
Show InChI InChI=1S/C17H12ClFN6O2S2/c18-12-7-10(3-6-13(12)19)23-15-14-16(22-8-21-15)25-17(28-14)24-9-1-4-11(5-2-9)29(20,26)27/h1-8H,(H2,20,26,27)(H2,21,22,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278704
PNG
(CHEMBL503418 | N7-(3-chloro-4-(3-fluorobenzyloxy)p...)
Show SMILES CN1CCN(Cc2ccc(Nc3nc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)cc2)CC1
Show InChI InChI=1S/C30H29ClFN7OS/c1-38-11-13-39(14-12-38)17-20-5-7-23(8-6-20)36-30-37-29-27(41-30)28(33-19-34-29)35-24-9-10-26(25(31)16-24)40-18-21-3-2-4-22(32)15-21/h2-10,15-16,19H,11-14,17-18H2,1H3,(H2,33,34,35,36,37)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290334
PNG
(1-(4-Chloro-phenyl)-7-naphthalen-1-ylmethyl-4,5,6,...)
Show SMILES Clc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C25H21ClN2O/c26-20-11-13-21(14-12-20)28-25-19(8-4-10-23(25)24(16-29)27-28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-3,5-7,9,11-14,16,19H,4,8,10,15H2
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278609
PNG
(CHEMBL470011 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCCCC5)cc4)sc23)cc1Cl
Show InChI InChI=1S/C23H22ClFN6S/c24-18-12-17(8-9-19(18)25)28-21-20-22(27-14-26-21)30-23(32-20)29-16-6-4-15(5-7-16)13-31-10-2-1-3-11-31/h4-9,12,14H,1-3,10-11,13H2,(H2,26,27,28,29,30)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278536
PNG
(4-(7-(3-bromophenylamino)thiazolo[4,5-d]pyrimidin-...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4cccc(Br)c4)c3s2)cc1
Show InChI InChI=1S/C17H13BrN6O2S2/c18-10-2-1-3-12(8-10)22-15-14-16(21-9-20-15)24-17(27-14)23-11-4-6-13(7-5-11)28(19,25)26/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50076649
PNG
(CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O
Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)
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n/an/a 10n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)

Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)		BDBM50076666
PNG
(CHEMBL175153 | N-Hydroxy-N-{3-[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
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n/an/a 10n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)		BDBM50076661
PNG
(CHEMBL177727 | N-{1-Ethyl-3-[1-(4-methoxy-phenyl)-...)
Show SMILES CCC(C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1)N(O)C(C)=O
Show InChI InChI=1S/C24H25N3O3/c1-5-21(27(29)18(3)28)11-10-20-16-24(19-8-6-17(2)7-9-19)26(25-20)22-12-14-23(30-4)15-13-22/h6-9,12-16,21,29H,5H2,1-4H3
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The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290362
PNG
(7-(2-Chloro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,7-te...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccccc3Cl)c12
Show InChI InChI=1S/C21H18ClFN2O/c22-19-7-2-1-4-14(19)12-15-5-3-6-18-20(13-26)24-25(21(15)18)17-10-8-16(23)9-11-17/h1-2,4,7-11,13,15H,3,5-6,12H2
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278701
PNG
((S)-(1-(4-(7-(3-chloro-4-fluorophenylamino)thiazol...)
Show SMILES OC[C@@H]1CCCN1Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 |r|
Show InChI InChI=1S/C23H22ClFN6OS/c24-18-10-16(7-8-19(18)25)28-21-20-22(27-13-26-21)30-23(33-20)29-15-5-3-14(4-6-15)11-31-9-1-2-17(31)12-32/h3-8,10,13,17,32H,1-2,9,11-12H2,(H2,26,27,28,29,30)/t17-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278652
PNG
(CHEMBL511637 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCOCC5)cc4)sc23)cc1Cl
Show InChI InChI=1S/C22H20ClFN6OS/c23-17-11-16(5-6-18(17)24)27-20-19-21(26-13-25-20)29-22(32-19)28-15-3-1-14(2-4-15)12-30-7-9-31-10-8-30/h1-6,11,13H,7-10,12H2,(H2,25,26,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278649
PNG
(CHEMBL513208 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES CN(C)Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1
Show InChI InChI=1S/C20H18ClFN6S/c1-28(2)10-12-3-5-13(6-4-12)26-20-27-19-17(29-20)18(23-11-24-19)25-14-7-8-16(22)15(21)9-14/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26,27)
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Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290358
PNG
(7-(4-Chloro-benzyl)-1-(4-fluoro-phenyl)-4,5,6,7-te...)
Show SMILES Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H18ClFN2O/c22-16-6-4-14(5-7-16)12-15-2-1-3-19-20(13-26)24-25(21(15)19)18-10-8-17(23)9-11-18/h4-11,13,15H,1-3,12H2
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278650
PNG
(CHEMBL470218 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES CN(C)CCc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1
Show InChI InChI=1S/C21H20ClFN6S/c1-29(2)10-9-13-3-5-14(6-4-13)27-21-28-20-18(30-21)19(24-12-25-20)26-15-7-8-17(23)16(22)11-15/h3-8,11-12H,9-10H2,1-2H3,(H2,24,25,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290349
PNG
(1-(4-Methoxy-phenyl)-7-naphthalen-1-ylmethyl-4,5,6...)
Show SMILES COc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C26H24N2O2/c1-30-22-14-12-21(13-15-22)28-26-20(9-5-11-24(26)25(17-29)27-28)16-19-8-4-7-18-6-2-3-10-23(18)19/h2-4,6-8,10,12-15,17,20H,5,9,11,16H2,1H3
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278538
PNG
(4-(7-(m-tolylamino)thiazolo[4,5-d]pyrimidin-2-ylam...)
Show SMILES Cc1cccc(Nc2ncnc3nc(Nc4ccc(cc4)S(N)(=O)=O)sc23)c1
Show InChI InChI=1S/C18H16N6O2S2/c1-11-3-2-4-13(9-11)22-16-15-17(21-10-20-16)24-18(27-15)23-12-5-7-14(8-6-12)28(19,25)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278610
PNG
(CHEMBL470012 | N7-(3-chloro-4-fluorophenyl)-N2-(4-...)
Show SMILES Fc1ccc(Nc2ncnc3nc(Nc4ccc(CCN5CCOCC5)cc4)sc23)cc1Cl
Show InChI InChI=1S/C23H22ClFN6OS/c24-18-13-17(5-6-19(18)25)28-21-20-22(27-14-26-21)30-23(33-20)29-16-3-1-15(2-4-16)7-8-31-9-11-32-12-10-31/h1-6,13-14H,7-12H2,(H2,26,27,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Progesterone receptor


(Oryctolagus cuniculus)		BDBM50290338
PNG
(1-(4-Fluoro-phenyl)-7-(3-methoxy-benzyl)-octahydro...)
Show SMILES COc1cccc(CC2CCCC3C(NN(C23)c2ccc(F)cc2)C=O)c1
Show InChI InChI=1S/C22H25FN2O2/c1-27-19-6-2-4-15(13-19)12-16-5-3-7-20-21(14-26)24-25(22(16)20)18-10-8-17(23)9-11-18/h2,4,6,8-11,13-14,16,20-22,24H,3,5,7,12H2,1H3
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity determined by ability to displace [3H]-R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit

Bioorg Med Chem Lett 7: 2551-2556 (1997)


Article DOI: 10.1016/S0960-894X(97)10016-6
BindingDB Entry DOI: 10.7270/Q2MW2H5C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))		BDBM50212033
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-(4-methyl...)
Show SMILES CN1CCN(CCc2ccc(Nc3ncc(C#N)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
Show InChI InChI=1S/C27H33N7/c1-27(2,29)23-8-6-21(7-9-23)25-22(18-28)19-30-26(32-25)31-24-10-4-20(5-11-24)12-13-34-16-14-33(3)15-17-34/h4-11,19H,12-17,29H2,1-3H3,(H,30,31,32)
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n/an/a 21n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity

Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278607
PNG
(4-(7-(3-chloro-4-fluorophenylamino)thiazolo[4,5-d]...)
Show SMILES COCCN(CCOC)S(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1
Show InChI InChI=1S/C23H24ClFN6O4S2/c1-34-11-9-31(10-12-35-2)37(32,33)17-6-3-15(4-7-17)29-23-30-22-20(36-23)21(26-14-27-22)28-16-5-8-19(25)18(24)13-16/h3-8,13-14H,9-12H2,1-2H3,(H2,26,27,28,29,30)
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n/an/a 25n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Oryctolagus cuniculus (rabbit))		BDBM6870
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3f ...)
Show SMILES Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,(H2,16,22,23)(H3,15,17,18,19)
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n/an/a 26n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...

J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50245444
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C#N
Show InChI InChI=1S/C18H14ClN5O/c19-15-8-13(24-18-14(9-20)17(21)22-11-23-18)6-7-16(15)25-10-12-4-2-1-3-5-12/h1-8,11H,10H2,(H3,21,22,23,24)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
BindingDB Entry DOI: 10.7270/Q2NS0TPB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))		BDBM50212029
PNG
(4-(4-(2-aminopropan-2-yl)phenyl)-2-(4-(2-morpholin...)
Show SMILES CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C#N
Show InChI InChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 activity

Bioorg Med Chem Lett 17: 3266-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.021
BindingDB Entry DOI: 10.7270/Q2GQ6XFG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50278573
PNG
(CHEMBL470003 | N7-(3-chlorophenyl)-N2-phenylthiazo...)
Show SMILES Clc1cccc(Nc2ncnc3nc(Nc4ccccc4)sc23)c1
Show InChI InChI=1S/C17H12ClN5S/c18-11-5-4-8-13(9-11)21-15-14-16(20-10-19-15)23-17(24-14)22-12-6-2-1-3-7-12/h1-10H,(H2,19,20,21,22,23)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

Bioorg Med Chem Lett 19: 2333-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.067
BindingDB Entry DOI: 10.7270/Q23X86H3
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)		BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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n/an/a 30n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 9: 979-84 (1999)


BindingDB Entry DOI: 10.7270/Q2Z31XV3
More data for this
Ligand-Target Pair
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