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BDBM6867 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3c::4-({5-amino-1-[(2,6-difluoro-3-methylphenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide::4-[[5-Amino-1-(2,6-difluoro-3-methylbenzoyl)-1H-1,2,4-triazol-3-yl]amino]-benzenesulfonamide

SMILES: Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F

InChI Key: InChIKey=IEWLQUDDCQIINQ-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 6867   
Target/Host
(Institution)
LigandTarget/Host
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))
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
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)


Article DOI: 10.1021/jm050267e
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)


Article DOI: 10.1021/jm050267e
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)


Article DOI: 10.1021/jm050267e
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)


Article DOI: 10.1021/jm050267e
More data for this
Ligand-Target Pair
Epidermal 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 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)


Article DOI: 10.1021/jm050267e
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)


Article DOI: 10.1021/jm050267e
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor 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)


Article DOI: 10.1021/jm050267e
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)


Article DOI: 10.1021/jm050267e
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)


Article DOI: 10.1021/jm050267e
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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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
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)


Article DOI: 10.1021/jm050267e
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(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)


Article DOI: 10.1021/jm050267e
More data for this
Ligand-Target Pair