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BDBM6416 3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyridin-3-yl)amino]propan-1-ol::3-[[5-[6-[(3-chlorophenyl)amino]pyrazinyl]-3-pyridinyl]amino]-1-propanol::Pyrazine-Pyridine Biheteroaryl 7::Pyrazine-Pyridine deriv. 15

SMILES: OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1

InChI Key: InChIKey=UCHQCSDTPQKAKL-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 6416   
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))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a>1.00E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 84n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a>1.00E+4n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 84n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 1.36E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 210n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 1.36E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 360n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Oryctolagus cuniculus (rabbit))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 478n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a>1.00E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 360n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Oryctolagus cuniculus (rabbit))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 478n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 210n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
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n/an/a 1.69E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair