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PubMed code 17201405

Compile data set for download or QSAR
Found 9 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))
BDBM14050
PNG
(N-(1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoro...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C21H17F3N4O2/c1-11-19(20(30)27-15-6-7-17-13(8-15)10-25-28-17)16(9-18(29)26-11)12-2-4-14(5-3-12)21(22,23)24/h2-8,10,16H,9H2,1H3,(H,25,28)(H,26,29)(H,27,30)
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PubMed
n/an/a 5n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14056
PNG
(N-(7-chloro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C21H16ClF3N4O2/c1-10-18(20(31)28-14-6-12-9-26-29-19(12)16(22)7-14)15(8-17(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-7,9,15H,8H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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PubMed
n/an/a 8n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14051
PNG
(4-(3,4-Dichlorophenyl)-N-1H-indazol-5-yl-2-methyl-...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C20H16Cl2N4O2/c1-10-19(20(28)25-13-3-5-17-12(6-13)9-23-26-17)14(8-18(27)24-10)11-2-4-15(21)16(22)7-11/h2-7,9,14H,8H2,1H3,(H,23,26)(H,24,27)(H,25,28)
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PubMed
n/an/a 8n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14052
PNG
(N-(1H-indazol-5-yl)-2-methyl-4-(naphthalen-2-yl)-6...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C24H20N4O2/c1-14-23(24(30)27-19-8-9-21-18(11-19)13-25-28-21)20(12-22(29)26-14)17-7-6-15-4-2-3-5-16(15)10-17/h2-11,13,20H,12H2,1H3,(H,25,28)(H,26,29)(H,27,30)
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PubMed
n/an/a 9n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14053
PNG
(2-methyl-N-(3-methyl-1H-indazol-5-yl)-6-oxo-4-[4-(...)
Show SMILES Cc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(cc3)C(F)(F)F)cc12 |c:11|
Show InChI InChI=1S/C22H19F3N4O2/c1-11-16-9-15(7-8-18(16)29-28-11)27-21(31)20-12(2)26-19(30)10-17(20)13-3-5-14(6-4-13)22(23,24)25/h3-9,17H,10H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
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PubMed
n/an/a 9n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14048
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=NC(=O)NC(C1C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(F)cc1 |t:1|
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,16-17H,1H3,(H,21,25)(H,23,26)(H,24,27)
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PubMed
n/an/a 14n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14055
PNG
(N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F |t:1|
Show InChI InChI=1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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PubMed
n/an/a 14n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14049
PNG
(4-(4-Fluorophenyl)-N-1H-indazol-5-yl-2-methyl-6-ox...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C20H17FN4O2/c1-11-19(16(9-18(26)23-11)12-2-4-14(21)5-3-12)20(27)24-15-6-7-17-13(8-15)10-22-25-17/h2-8,10,16H,9H2,1H3,(H,22,25)(H,23,26)(H,24,27)
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PubMed
n/an/a 51n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14054
PNG
(N-(4-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(...)
Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1F |t:1|
Show InChI InChI=1S/C21H16F4N4O2/c1-10-18(20(31)28-16-7-6-15-14(19(16)22)9-26-29-15)13(8-17(30)27-10)11-2-4-12(5-3-11)21(23,24)25/h2-7,9,13H,8H2,1H3,(H,26,29)(H,27,30)(H,28,31)
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Article
PubMed
n/an/a 2.50E+3n/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: 6-9 (2007)


Article DOI: 10.1021/jm0609014
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%