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Patent code US8815845

Compile Data Set for Download or QSAR
Found 10 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 2


(Homo sapiens (Human))
BDBM130375
PNG
(US8815845, 5)
Show SMILES [H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C25H22N4O3/c1-29-22-8-7-17(32-2)14-20(22)24(30)28-21(25(29)31)13-15-3-5-16(6-4-15)18-9-11-26-23-19(18)10-12-27-23/h3-12,14,21H,13H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
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US Patent
n/an/a 200n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 uL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 [uM KEAKEKRQEQIA...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM130374
PNG
(US8815845, 4)
Show SMILES [H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C24H19ClN4O2/c1-29-21-7-6-16(25)13-19(21)23(30)28-20(24(29)31)12-14-2-4-15(5-3-14)17-8-10-26-22-18(17)9-11-27-22/h2-11,13,20H,12H2,1H3,(H,26,27)(H,28,30)/t20-/m0/s1
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US Patent
n/an/a 250n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 uL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 [uM KEAKEKRQEQIA...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM130371
PNG
(US8815845, 1)
Show SMILES [H][C@]1(Cc2ccc(cc2)-c2cn[nH]c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C20H17ClN4O2/c1-25-18-7-6-15(21)9-16(18)19(26)24-17(20(25)27)8-12-2-4-13(5-3-12)14-10-22-23-11-14/h2-7,9-11,17H,8H2,1H3,(H,22,23)(H,24,26)/t17-/m1/s1
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US Patent
n/an/a 1.00E+3n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 uL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 [uM KEAKEKRQEQIA...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM130373
PNG
(US8815845, 3)
Show SMILES [H][C@@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C23H22N4O3/c1-27-20-8-7-17(30-2)13-18(20)22(28)26-19(23(27)29)11-14-3-5-15(6-4-14)16-9-10-25-21(24)12-16/h3-10,12-13,19H,11H2,1-2H3,(H2,24,25)(H,26,28)/t19-/m0/s1
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US Patent
n/an/a 2.40E+3n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 uL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 [uM KEAKEKRQEQIA...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM130375
PNG
(US8815845, 5)
Show SMILES [H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C25H22N4O3/c1-29-22-8-7-17(32-2)14-20(22)24(30)28-21(25(29)31)13-15-3-5-16(6-4-15)18-9-11-26-23-19(18)10-12-27-23/h3-12,14,21H,13H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
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US Patent
n/an/a 2.80E+3n/an/an/an/a7.025



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM130374
PNG
(US8815845, 4)
Show SMILES [H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C24H19ClN4O2/c1-29-21-7-6-16(25)13-19(21)23(30)28-20(24(29)31)12-14-2-4-15(5-3-14)17-8-10-26-22-18(17)9-11-27-22/h2-11,13,20H,12H2,1H3,(H,26,27)(H,28,30)/t20-/m0/s1
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US Patent
n/an/a 5.10E+3n/an/an/an/a7.025



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM130372
PNG
(US8815845, 2)
Show SMILES [H][C@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C22H19ClN4O2/c1-27-19-7-6-16(23)12-17(19)21(28)26-18(22(27)29)10-13-2-4-14(5-3-13)15-8-9-25-20(24)11-15/h2-9,11-12,18H,10H2,1H3,(H2,24,25)(H,26,28)/t18-/m1/s1
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US Patent
n/an/a 7.10E+3n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 uL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 [uM KEAKEKRQEQIA...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM130372
PNG
(US8815845, 2)
Show SMILES [H][C@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C22H19ClN4O2/c1-27-19-7-6-16(23)12-17(19)21(28)26-18(22(27)29)10-13-2-4-14(5-3-13)15-8-9-25-20(24)11-15/h2-9,11-12,18H,10H2,1H3,(H2,24,25)(H,26,28)/t18-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.025



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM130373
PNG
(US8815845, 3)
Show SMILES [H][C@@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C23H22N4O3/c1-27-20-8-7-17(30-2)13-18(20)22(28)26-19(23(27)29)11-14-3-5-15(6-4-14)16-9-10-25-21(24)12-16/h3-10,12-13,19H,11H2,1-2H3,(H2,24,25)(H,26,28)/t19-/m0/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.025



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM130371
PNG
(US8815845, 1)
Show SMILES [H][C@]1(Cc2ccc(cc2)-c2cn[nH]c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
Show InChI InChI=1S/C20H17ClN4O2/c1-25-18-7-6-15(21)9-16(18)19(26)24-17(20(25)27)8-12-2-4-13(5-3-12)14-10-22-23-11-14/h2-7,9-11,17H,8H2,1H3,(H,22,23)(H,24,26)/t17-/m1/s1
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US Patent
n/an/a>3.00E+4n/an/an/an/a7.025



The Regents of the University of Michigan

US Patent


Assay Description
In a final reaction volume of 25 μL, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 μM KEAKE...


US Patent US8815845 (2014)


BindingDB Entry DOI: 10.7270/Q218356K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%