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Patent code US9849138

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 kinase 2 (ROCKII)


(Homo sapiens (Human))
BDBM362930
PNG
(US9849138, 4)
Show SMILES CN1c2ccccc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H19N3O2/c1-25-20-5-3-2-4-18(20)21(26)24-19(22(25)27)14-15-6-8-16(9-7-15)17-10-12-23-13-11-17/h2-13,19H,14H2,1H3,(H,24,26)
PDB
MMDB

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 800n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho kinase 2 (ROCKII)


(Homo sapiens (Human))
BDBM362928
PNG
(US9849138, 3)
Show SMILES CN1c2cccc(Cl)c2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H18ClN3O2/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/h2-12,18H,13H2,1H3,(H,25,27)
PDB
MMDB

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 860n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho kinase 2 (ROCKII)


(Homo sapiens (Human))
BDBM362931
PNG
(US9849138, 5)
Show SMILES CN1c2c(Cl)cccc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H18ClN3O2/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/h2-12,19H,13H2,1H3,(H,25,27)
PDB
MMDB

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho kinase 2 (ROCKII)


(Homo sapiens (Human))
BDBM362925
PNG
(US9849138, 1)
Show SMILES CN1c2ccc(Cl)cc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H18ClN3O2/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/h2-11,13,19H,12H2,1H3,(H,25,27)
PDB
MMDB

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK1)


(Homo Sapiens (Human))
BDBM362931
PNG
(US9849138, 5)
Show SMILES CN1c2c(Cl)cccc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H18ClN3O2/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/h2-12,19H,13H2,1H3,(H,25,27)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho kinase 2 (ROCKII)


(Homo sapiens (Human))
BDBM362926
PNG
(US9849138, 2)
Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@@](C)(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C23H20ClN3O2/c1-23(14-15-3-5-16(6-4-15)17-9-11-25-12-10-17)22(29)27(2)20-8-7-18(24)13-19(20)21(28)26-23/h3-13H,14H2,1-2H3,(H,26,28)/t23-/s2
PDB
MMDB

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK1)


(Homo Sapiens (Human))
BDBM362930
PNG
(US9849138, 4)
Show SMILES CN1c2ccccc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H19N3O2/c1-25-20-5-3-2-4-18(20)21(26)24-19(22(25)27)14-15-6-8-16(9-7-15)17-10-12-23-13-11-17/h2-13,19H,14H2,1H3,(H,24,26)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK1)


(Homo Sapiens (Human))
BDBM362926
PNG
(US9849138, 2)
Show SMILES CN1c2ccc(Cl)cc2C(=O)N[C@@](C)(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C23H20ClN3O2/c1-23(14-15-3-5-16(6-4-15)17-9-11-25-12-10-17)22(29)27(2)20-8-7-18(24)13-19(20)21(28)26-23/h3-13H,14H2,1-2H3,(H,26,28)/t23-/s2
PDB

GoogleScholar
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK1)


(Homo Sapiens (Human))
BDBM362928
PNG
(US9849138, 3)
Show SMILES CN1c2cccc(Cl)c2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H18ClN3O2/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/h2-12,18H,13H2,1H3,(H,25,27)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>3.00E+7n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK1)


(Homo Sapiens (Human))
BDBM362925
PNG
(US9849138, 1)
Show SMILES CN1c2ccc(Cl)cc2C(=O)NC(Cc2ccc(cc2)-c2ccncc2)C1=O
Show InChI InChI=1/C22H18ClN3O2/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/h2-11,13,19H,12H2,1H3,(H,25,27)
PDB

GoogleScholar
UniChem
US Patent
n/an/a>3.00E+7n/an/an/an/an/an/a



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 US9849138 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%