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14 similar compounds to monomer 6866

Wt: 358.3
BDBM6865
Wt: 408.3
BDBM6867
Wt: 412.3
BDBM6868
Wt: 465.4
BDBM6873
Wt: 462.4
BDBM6874
Wt: 380.3
BDBM6875
Wt: 408.3
BDBM6879
Wt: 494.4
BDBM50186417
Wt: 510.4
BDBM50186418
Wt: 481.4
BDBM50186419
Wt: 451.4
BDBM50186422
Wt: 394.3
BDBM50332296
Wt: 315.2
BDBM50332301
Wt: 358.3
BDBM50332303

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 6865,6867,6868,6873,6874,6875,6879,50186417,50186418,50186419,50186422,50332296,50332301,50332303   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6865
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3a ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N6O3S/c16-14-19-15(18-11-6-8-12(9-7-11)25(17,23)24)20-21(14)13(22)10-4-2-1-3-5-10/h1-9H,(H2,17,23,24)(H3,16,18,19,20)
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n/an/a 45n/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
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n/an/a 70n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TYK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6873
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3i ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C19H21F2N7O3S/c1-27(2)11-10-23-32(30,31)13-8-6-12(7-9-13)24-19-25-18(22)28(26-19)17(29)16-14(20)4-3-5-15(16)21/h3-9,23H,10-11H2,1-2H3,(H3,22,24,25,26)
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n/an/a 130n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6874
PNG
(1-(2,6-difluorobenzoyl)-N3-[4-(piperidin-1-ylsulfo...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C20H20F2N6O3S/c21-15-5-4-6-16(22)17(15)18(29)28-19(23)25-20(26-28)24-13-7-9-14(10-8-13)32(30,31)27-11-2-1-3-12-27/h4-10H,1-3,11-12H2,(H3,23,24,25,26)
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n/an/a 540n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6875
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3k ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F
Show InChI InChI=1S/C15H14F2N6O2S/c16-12-2-1-3-13(17)11(12)8-23-14(18)21-15(22-23)20-9-4-6-10(7-5-9)26(19,24)25/h1-7H,8H2,(H2,19,24,25)(H3,18,20,21,22)
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n/an/a>1.00E+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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6879
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4a ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(N)nc2Nc2ccc(cc2)S(N)(=O)=O)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-16(22-15(19)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 2.10E+3n/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)

More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Mus musculus (mouse))
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 190n/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)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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>1.00E+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)

More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
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 510n/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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(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 4.58E+4n/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)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(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 270n/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)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(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 1.07E+4n/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)

More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Oryctolagus cuniculus (rabbit))
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 31n/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)

More data for this
Ligand-Target Pair
Insulin receptor


(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 9.80E+3n/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)

More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
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>1.00E+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)

More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
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 9.50E+3n/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)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
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>1.00E+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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50186417
PNG
(4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-tri...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H16F2N6O6S/c20-12-2-1-3-13(21)16(12)17(31)27-18(22)24-19(25-27)23-10-4-6-11(7-5-10)34(32,33)26-14(28)8-9-15(29)30/h1-7H,8-9H2,(H,26,28)(H,29,30)(H3,22,23,24,25)
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n/an/a 494n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50186422
PNG
(2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1...)
Show SMILES NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H15F2N7O4S/c18-11-2-1-3-12(19)14(11)15(28)26-16(21)23-17(24-26)22-9-4-6-10(7-5-9)31(29,30)25-13(27)8-20/h1-7H,8,20H2,(H,25,27)(H3,21,22,23,24)
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50186419
PNG
((R)-2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-...)
Show SMILES N[C@H](CO)C(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C18H17F2N7O5S/c19-11-2-1-3-12(20)14(11)16(30)27-17(22)24-18(25-27)23-9-4-6-10(7-5-9)33(31,32)26-15(29)13(21)8-28/h1-7,13,28H,8,21H2,(H,26,29)(H3,22,23,24,25)/t13-/m1/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50186418
PNG
(CHEMBL210581 | N-(4-(5-amino-1-(2,6-difluorobenzoy...)
Show SMILES COCCOCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H20F2N6O6S/c1-33-9-10-34-11-16(29)27-35(31,32)13-7-5-12(6-8-13)24-20-25-19(23)28(26-20)18(30)17-14(21)3-2-4-15(17)22/h2-8H,9-11H2,1H3,(H,27,29)(H3,23,24,25,26)
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n/an/a 247n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50186417
PNG
(4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-tri...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H16F2N6O6S/c20-12-2-1-3-13(21)16(12)17(31)27-18(22)24-19(25-27)23-10-4-6-11(7-5-10)34(32,33)26-14(28)8-9-15(29)30/h1-7H,8-9H2,(H,26,28)(H,29,30)(H3,22,23,24,25)
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n/an/a 71n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50186419
PNG
((R)-2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-...)
Show SMILES N[C@H](CO)C(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C18H17F2N7O5S/c19-11-2-1-3-12(20)14(11)16(30)27-17(22)24-18(25-27)23-9-4-6-10(7-5-9)33(31,32)26-15(29)13(21)8-28/h1-7,13,28H,8,21H2,(H,26,29)(H3,22,23,24,25)/t13-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50186418
PNG
(CHEMBL210581 | N-(4-(5-amino-1-(2,6-difluorobenzoy...)
Show SMILES COCCOCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H20F2N6O6S/c1-33-9-10-34-11-16(29)27-35(31,32)13-7-5-12(6-8-13)24-20-25-19(23)28(26-20)18(30)17-14(21)3-2-4-15(17)22/h2-8H,9-11H2,1H3,(H,27,29)(H3,23,24,25,26)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50186422
PNG
(2-amino-N-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1...)
Show SMILES NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H15F2N7O4S/c18-11-2-1-3-12(19)14(11)15(28)26-16(21)23-17(24-26)22-9-4-6-10(7-5-9)31(29,30)25-13(27)8-20/h1-7H,8,20H2,(H,25,27)(H3,21,22,23,24)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3639-41 (2006)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50332296
PNG
(3-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazo...)
Show SMILES Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-5-2-6-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-3-1-4-9(7-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 19n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50332301
PNG
((5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,...)
Show SMILES Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
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n/an/a 230n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
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n/an/a 80n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50332296
PNG
(3-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazo...)
Show SMILES Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-5-2-6-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-3-1-4-9(7-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 2.50E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50332296
PNG
(3-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazo...)
Show SMILES Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-5-2-6-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-3-1-4-9(7-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 1.25E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50332301
PNG
((5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,...)
Show SMILES Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
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n/an/a 3.25E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
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n/an/a 850n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50332296
PNG
(3-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazo...)
Show SMILES Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-5-2-6-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-3-1-4-9(7-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TYK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50332301
PNG
((5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,...)
Show SMILES Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
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n/an/a 360n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TYK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)

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)

More data for this
Ligand-Target Pair