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Patent code US9126978

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 1


(Homo sapiens (Human))
BDBM179542
PNG
(US9126978, 4)
Show SMILES CN1c2cc(Cl)ccc2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r|
Show InChI InChI=1S/C22H18ClN3O2/c1-26-20-13-17(23)6-7-18(20)21(27)25-19(22(26)28)12-14-2-4-15(5-3-14)16-8-10-24-11-9-16/h2-11,13,19H,12H2,1H3,(H,25,27)/t19-/m1/s1
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US Patent
n/an/a 800n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


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


US Patent US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179541
PNG
(US9126978, 3)
Show SMILES CN1C2=CCCC(Cl)=C2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r,c:7,t:2|
Show InChI InChI=1S/C22H20ClN3O2/c1-26-19-4-2-3-17(23)20(19)21(27)25-18(22(26)28)13-14-5-7-15(8-6-14)16-9-11-24-12-10-16/h4-12,18H,2-3,13H2,1H3,(H,25,27)/t18-/m1/s1
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US Patent
n/an/a 860n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


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


US Patent US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179543
PNG
(US9126978, 5)
Show SMILES CN1C2=C(Cl)CCC=C2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r,c:2,7|
Show InChI InChI=1S/C22H20ClN3O2/c1-26-20-17(3-2-4-18(20)23)21(27)25-19(22(26)28)13-14-5-7-15(8-6-14)16-9-11-24-12-10-16/h3,5-12,19H,2,4,13H2,1H3,(H,25,27)/t19-/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 μL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 μM KEA...


US Patent US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179539
PNG
(US9126978, 1)
Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@H](CC2CC=C(C=C2)c2ccncc2)C1=O |r,c:17,19|
Show InChI InChI=1S/C22H20ClN3O2/c1-26-20-7-6-17(23)13-18(20)21(27)25-19(22(26)28)12-14-2-4-15(5-3-14)16-8-10-24-11-9-16/h2,4-11,13-14,19H,3,12H2,1H3,(H,25,27)/t14?,19-/m1/s1
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n/an/a 1.10E+3n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


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


US Patent US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179540
PNG
(US9126978, 2)
Show SMILES C[C@@]1(Cc2ccc(cc2)C2CC=NC=C2)NC(=O)c2cc(Cl)ccc2NC1=O |r,c:12,14|
Show InChI InChI=1S/C22H20ClN3O2/c1-22(13-14-2-4-15(5-3-14)16-8-10-24-11-9-16)21(28)25-19-7-6-17(23)12-18(19)20(27)26-22/h2-8,10-12,16H,9,13H2,1H3,(H,25,28)(H,26,27)/t16?,22-/m0/s1
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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 US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179543
PNG
(US9126978, 5)
Show SMILES CN1C2=C(Cl)CCC=C2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r,c:2,7|
Show InChI InChI=1S/C22H20ClN3O2/c1-26-20-17(3-2-4-18(20)23)21(27)25-19(22(26)28)13-14-5-7-15(8-6-14)16-9-11-24-12-10-16/h3,5-12,19H,2,4,13H2,1H3,(H,25,27)/t19-/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 US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179542
PNG
(US9126978, 4)
Show SMILES CN1c2cc(Cl)ccc2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r|
Show InChI InChI=1S/C22H18ClN3O2/c1-26-20-13-17(23)6-7-18(20)21(27)25-19(22(26)28)12-14-2-4-15(5-3-14)16-8-10-24-11-9-16/h2-11,13,19H,12H2,1H3,(H,25,27)/t19-/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 US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179540
PNG
(US9126978, 2)
Show SMILES C[C@@]1(Cc2ccc(cc2)C2CC=NC=C2)NC(=O)c2cc(Cl)ccc2NC1=O |r,c:12,14|
Show InChI InChI=1S/C22H20ClN3O2/c1-22(13-14-2-4-15(5-3-14)16-8-10-24-11-9-16)21(28)25-19-7-6-17(23)12-18(19)20(27)26-22/h2-8,10-12,16H,9,13H2,1H3,(H,25,28)(H,26,27)/t16?,22-/m0/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.525



The Regents of the University of Michigan

US Patent


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


US Patent US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179539
PNG
(US9126978, 1)
Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@H](CC2CC=C(C=C2)c2ccncc2)C1=O |r,c:17,19|
Show InChI InChI=1S/C22H20ClN3O2/c1-26-20-7-6-17(23)13-18(20)21(27)25-19(22(26)28)12-14-2-4-15(5-3-14)16-8-10-24-11-9-16/h2,4-11,13-14,19H,3,12H2,1H3,(H,25,27)/t14?,19-/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 US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM179541
PNG
(US9126978, 3)
Show SMILES CN1C2=CCCC(Cl)=C2C(=O)N[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O |r,c:7,t:2|
Show InChI InChI=1S/C22H20ClN3O2/c1-26-19-4-2-3-17(23)20(19)21(27)25-18(22(26)28)13-14-5-7-15(8-6-14)16-9-11-24-12-10-16/h4-12,18H,2-3,13H2,1H3,(H,25,27)/t18-/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 US9126978 (2015)


BindingDB Entry DOI: 10.7270/Q21J98JB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%