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PubMed code 17201404

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14044
PNG
(Aminofurazanyl-azabenzimidazole 6k | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C26H26N8O3/c1-4-34-21-13-22(28-14-20(21)30-25(34)23-24(27)32-37-31-23)36-19-7-5-6-18(12-19)29-26(35)17-10-8-16(9-11-17)15-33(2)3/h5-14H,4,15H2,1-3H3,(H2,27,32)(H,29,35)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14046
PNG
(Aminofurazanyl-azabenzimidazole 6m | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C27H28N8O4/c1-4-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-7-5-6-18(14-20)30-27(36)17-8-10-19(11-9-17)37-13-12-34(2)3/h5-11,14-16H,4,12-13H2,1-3H3,(H2,28,33)(H,30,36)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14043
PNG
(Aminofurazanyl-azabenzimidazole 6j | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C24H22N8O3/c1-2-32-19-11-20(27-13-18(19)29-23(32)21-22(26)31-35-30-21)34-17-5-3-4-16(10-17)28-24(33)15-8-6-14(12-25)7-9-15/h3-11,13H,2,12,25H2,1H3,(H2,26,31)(H,28,33)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14045
PNG
(Aminofurazanyl-azabenzimidazole 6l | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C28H28N8O4/c1-2-36-23-15-24(30-16-22(23)32-27(36)25-26(29)34-40-33-25)39-21-5-3-4-20(14-21)31-28(37)19-8-6-18(7-9-19)17-35-10-12-38-13-11-35/h3-9,14-16H,2,10-13,17H2,1H3,(H2,29,34)(H,31,37)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14042
PNG
(Aminofurazanyl-azabenzimidazole 6i | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C27H26N8O4/c1-2-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-5-3-4-18(14-20)30-27(36)17-6-8-19(9-7-17)34-10-12-37-13-11-34/h3-9,14-16H,2,10-13H2,1H3,(H2,28,33)(H,30,36)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14047
PNG
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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n/an/a 1.80n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14035
PNG
(Aminofurazanyl-azabenzimidazole 6c | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(C)=O)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C18H17N7O3/c1-3-25-14-8-15(27-12-6-4-5-11(7-12)21-10(2)26)20-9-13(14)22-18(25)16-17(19)24-28-23-16/h4-9H,3H2,1-2H3,(H2,19,24)(H,21,26)
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n/an/a 1.80n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14041
PNG
(Aminofurazanyl-azabenzimidazole 6h | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C25H24N8O3/c1-4-33-20-13-21(27-14-19(20)29-24(33)22-23(26)31-36-30-22)35-18-7-5-6-16(12-18)28-25(34)15-8-10-17(11-9-15)32(2)3/h5-14H,4H2,1-3H3,(H2,26,31)(H,28,34)
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n/an/a 2n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14040
PNG
(Aminofurazanyl-azabenzimidazole 6g | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C23H19N7O3/c1-2-30-18-12-19(25-13-17(18)27-22(30)20-21(24)29-33-28-20)32-16-10-6-9-15(11-16)26-23(31)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H2,24,29)(H,26,31)
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n/an/a 4n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14033
PNG
(4-{1-ethyl-6-methoxy-1H-imidazo[4,5-c]pyridin-2-yl...)
Show SMILES CCn1c(nc2cnc(OC)cc12)-c1nonc1N
Show InChI InChI=1S/C11H12N6O2/c1-3-17-7-4-8(18-2)13-5-6(7)14-11(17)9-10(12)16-19-15-9/h4-5H,3H2,1-2H3,(H2,12,16)
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n/an/a 4.40n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14037
PNG
(1-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(c3)C(C)=O)cc12)-c1nonc1N
Show InChI InChI=1S/C18H16N6O3/c1-3-24-14-8-15(26-12-6-4-5-11(7-12)10(2)25)20-9-13(14)21-18(24)16-17(19)23-27-22-16/h4-9H,3H2,1-2H3,(H2,19,23)
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n/an/a 13n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14039
PNG
(4-[6-(3-aminophenoxy)-1-ethyl-1H-imidazo[4,5-c]pyr...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(N)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C16H15N7O2/c1-2-23-12-7-13(24-10-5-3-4-9(17)6-10)19-8-11(12)20-16(23)14-15(18)22-25-21-14/h3-8H,2,17H2,1H3,(H2,18,22)
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n/an/a 18n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14032
PNG
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)
Show SMILES CCn1c(nc2cnccc12)-c1nonc1N
Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15)
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PubMed
n/an/a 19n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14034
PNG
(4-{1-ethyl-6-phenoxy-1H-imidazo[4,5-c]pyridin-2-yl...)
Show SMILES CCn1c(nc2cnc(Oc3ccccc3)cc12)-c1nonc1N
Show InChI InChI=1S/C16H14N6O2/c1-2-22-12-8-13(23-10-6-4-3-5-7-10)18-9-11(12)19-16(22)14-15(17)21-24-20-14/h3-9H,2H2,1H3,(H2,17,21)
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n/an/a 30n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14038
PNG
(4-[1-ethyl-6-(3-methanesulfonylphenoxy)-1H-imidazo...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(c3)S(C)(=O)=O)cc12)-c1nonc1N
Show InChI InChI=1S/C17H16N6O4S/c1-3-23-13-8-14(26-10-5-4-6-11(7-10)28(2,24)25)19-9-12(13)20-17(23)15-16(18)22-27-21-15/h4-9H,3H2,1-2H3,(H2,18,22)
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n/an/a 33n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14036
PNG
(Aminofurazanyl-azabenzimidazole 6d | N-(4-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3ccc(NC(C)=O)cc3)cc12)-c1nonc1N
Show InChI InChI=1S/C18H17N7O3/c1-3-25-14-8-15(27-12-6-4-11(5-7-12)21-10(2)26)20-9-13(14)22-18(25)16-17(19)24-28-23-16/h4-9H,3H2,1-2H3,(H2,19,24)(H,21,26)
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n/an/a 90n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%