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PubMed code 18842034

Compile data set for download or QSAR
Found 25 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))
BDBM25494
PNG
(4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...)
Show SMILES COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 2n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25495
PNG
(4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...)
Show SMILES COc1ccc(cn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-5-7-20-15(9-17)12-29-33-20)23(18-6-4-16(26)10-19(18)27)32-24(30-13)14-3-8-21(35-2)28-11-14/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 3n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25493
PNG
(4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...)
Show SMILES CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-16-3-5-19-14(8-16)11-29-33-19)22(17-4-2-15(25)10-18(17)27)32-23(30-12)13-6-7-28-20(26)9-13/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 4n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25492
PNG
(4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-...)
Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C26H21ClFN5O2/c1-14-23(26(34)31-18-6-10-22-16(11-18)13-29-33-22)24(20-9-5-17(27)12-21(20)28)32-25(30-14)15-3-7-19(35-2)8-4-15/h3-13,24H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 5n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25496
PNG
(4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...)
Show SMILES CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1|
Show InChI InChI=1S/C24H16Cl2F2N6O/c1-11-21(24(35)32-19-6-13-10-30-34-18(13)9-17(19)28)22(15-3-2-14(25)8-16(15)27)33-23(31-11)12-4-5-29-20(26)7-12/h2-10,22H,1H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 6n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25498
PNG
(4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol...)
Show SMILES COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:12,t:9|
Show InChI InChI=1S/C25H19ClF2N6O2/c1-12-22(25(35)32-20-7-14-11-30-34-19(14)10-18(20)28)23(16-4-3-15(26)9-17(16)27)33-24(31-12)13-5-6-29-21(8-13)36-2/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 6n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25483
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1ccncc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C24H19FN6O/c1-14-21(24(32)29-19-6-7-20-17(12-19)13-27-31-20)22(15-2-4-18(25)5-3-15)30-23(28-14)16-8-10-26-11-9-16/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32)
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n/an/a 8n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25500
PNG
(4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol...)
Show SMILES CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1|
Show InChI InChI=1S/C25H19ClF2N6O/c1-12-7-14(5-6-29-12)24-31-13(2)22(23(33-24)17-4-3-16(26)9-18(17)27)25(35)32-21-8-15-11-30-34-20(15)10-19(21)28/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 10n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25499
PNG
(4-(4-chloro-2-fluorophenyl)-2-(2-ethoxypyridin-4-y...)
Show SMILES CCOc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:13,t:10|
Show InChI InChI=1S/C26H21ClF2N6O2/c1-3-37-22-9-14(6-7-30-22)25-32-13(2)23(24(34-25)17-5-4-16(27)10-18(17)28)26(36)33-21-8-15-12-31-35-20(15)11-19(21)29/h4-12,24H,3H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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n/an/a 11n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
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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n/an/a 14n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25497
PNG
(4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-y...)
Show SMILES Cc1n[nH]c2ccc(NC(=O)C3=C(C)N=C(NC3c3ccc(Cl)cc3F)c3ccnc(Cl)c3)cc12 |c:11,14|
Show InChI InChI=1S/C25H19Cl2FN6O/c1-12-18-11-16(4-6-20(18)34-33-12)31-25(35)22-13(2)30-24(14-7-8-29-21(27)9-14)32-23(22)17-5-3-15(26)10-19(17)28/h3-11,23H,1-2H3,(H,30,32)(H,31,35)(H,33,34)
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n/an/a 15n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25491
PNG
(4-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indaz...)
Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C27H21F4N5O2/c1-14-23(26(37)34-18-6-10-22-16(11-18)13-32-36-22)24(20-9-5-17(12-21(20)28)27(29,30)31)35-25(33-14)15-3-7-19(38-2)8-4-15/h3-13,24H,1-2H3,(H,32,36)(H,33,35)(H,34,37)
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n/an/a 26n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25478
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-2-(4-methox...)
Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C26H22FN5O2/c1-15-23(26(33)30-20-9-12-22-18(13-20)14-28-32-22)24(16-3-7-19(27)8-4-16)31-25(29-15)17-5-10-21(34-2)11-6-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 46n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25490
PNG
(Dihydropyrimidine, 19 | N-(1H-indazol-5-yl)-2-(4-m...)
Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(N)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C26H24N6O4S/c1-15-23(26(33)30-19-7-12-22-18(13-19)14-28-32-22)24(16-5-10-21(11-6-16)37(27,34)35)31-25(29-15)17-3-8-20(36-2)9-4-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)
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n/an/a 68n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25487
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,1H3,(H,31,35)(H,32,34)(H,33,36)
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n/an/a 75n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25479
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1ccc(C)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C26H22FN5O/c1-15-3-5-18(6-4-15)25-29-16(2)23(24(31-25)17-7-9-20(27)10-8-17)26(33)30-21-11-12-22-19(13-21)14-28-32-22/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 101n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25480
PNG
(2-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-N-(...)
Show SMILES CC1=C(C(NC(=N1)c1ccc(C)c(F)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C26H21F2N5O/c1-14-3-4-17(12-21(14)28)25-30-15(2)23(24(32-25)16-5-7-19(27)8-6-16)26(34)31-20-9-10-22-18(11-20)13-29-33-22/h3-13,24H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 104n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25477
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1ccccc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C25H20FN5O/c1-15-22(25(32)29-20-11-12-21-18(13-20)14-27-31-21)23(16-7-9-19(26)10-8-16)30-24(28-15)17-5-3-2-4-6-17/h2-14,23H,1H3,(H,27,31)(H,28,30)(H,29,32)
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Article
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n/an/a 105n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25484
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1cnccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C23H18FN7O/c1-13-20(23(32)29-17-6-7-18-15(10-17)11-27-31-18)21(14-2-4-16(24)5-3-14)30-22(28-13)19-12-25-8-9-26-19/h2-12,21H,1H3,(H,27,31)(H,28,30)(H,29,32)
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Article
PubMed
n/an/a 105n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25481
PNG
(2-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(1H-indazo...)
Show SMILES CC1=C(C(NC(=N1)c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C25H19ClFN5O/c1-14-22(25(33)30-20-10-11-21-17(12-20)13-28-32-21)23(15-4-8-19(27)9-5-15)31-24(29-14)16-2-6-18(26)7-3-16/h2-13,23H,1H3,(H,28,32)(H,29,31)(H,30,33)
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PubMed
n/an/a 129n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25482
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1cccc(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C26H22FN5O/c1-15-4-3-5-18(12-15)25-29-16(2)23(24(31-25)17-6-8-20(27)9-7-17)26(33)30-21-10-11-22-19(13-21)14-28-32-22/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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Article
PubMed
n/an/a 129n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25488
PNG
(Dihydropyrimidine, 17 | N-(1H-indazol-5-yl)-4-(4-m...)
Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(C)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C27H25N5O4S/c1-16-24(27(33)30-20-8-13-23-19(14-20)15-28-32-23)25(17-6-11-22(12-7-17)37(3,34)35)31-26(29-16)18-4-9-21(36-2)10-5-18/h4-15,25H,1-3H3,(H,28,32)(H,29,31)(H,30,33)
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PubMed
n/an/a 150n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25486
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1ccccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C24H19FN6O/c1-14-21(24(32)29-18-9-10-19-16(12-18)13-27-31-19)22(15-5-7-17(25)8-6-15)30-23(28-14)20-4-2-3-11-26-20/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32)
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PubMed
n/an/a 180n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25485
PNG
(4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-...)
Show SMILES CC1=C(C(NC(=N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
Show InChI InChI=1S/C26H19F4N5O/c1-14-22(25(36)33-20-9-10-21-17(12-20)13-31-35-21)23(15-5-7-19(27)8-6-15)34-24(32-14)16-3-2-4-18(11-16)26(28,29)30/h2-13,23H,1H3,(H,31,35)(H,32,34)(H,33,36)
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Article
PubMed
n/an/a 288n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25489
PNG
(Dihydropyrimidine, 18 | N-(1H-indazol-5-yl)-2-(4-m...)
Show SMILES COc1ccc(cc1)C1=NC(C)=C(C(C)N1)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
Show InChI InChI=1S/C21H21N5O2/c1-12-19(21(27)25-16-6-9-18-15(10-16)11-22-26-18)13(2)24-20(23-12)14-4-7-17(28-3)8-5-14/h4-12H,1-3H3,(H,22,26)(H,23,24)(H,25,27)
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Article
PubMed
n/an/a 863n/an/an/an/a7.422



GSK



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Sc...


J Med Chem 51: 6631-4 (2008)


Article DOI: 10.1021/jm8005096
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%