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USPatent US10112935

Compile Data Set for Download or QSAR

Found 516 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))
BDBM295703
PNG
(US10112935, Compound A-3)
Show SMILES CN(C)CC(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C18H18N8OS/c1-26(2)10-16(27)21-14-6-12(7-19-9-14)17-24-25-18(28-17)22-13-3-4-15-11(5-13)8-20-23-15/h3-9H,10H2,1-2H3,(H,20,23)(H,21,27)(H,22,25)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295715
PNG
(US10112935, Compound A-15)
Show SMILES Cn1cnc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C17H13N7S/c1-24-9-18-15-12(3-2-4-14(15)24)16-22-23-17(25-16)20-11-5-6-13-10(7-11)8-19-21-13/h2-9H,1H3,(H,19,21)(H,20,23)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295720
PNG
(US10112935, Compound A-20)
Show SMILES OCCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C21H18N8O2S/c30-7-6-29-12-15(11-23-29)19(31)24-16-3-1-2-13(8-16)20-27-28-21(32-20)25-17-4-5-18-14(9-17)10-22-26-18/h1-5,8-12,30H,6-7H2,(H,22,26)(H,24,31)(H,25,28)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295724
PNG
(BDBM295851 | US10112935, Compound A-24)
Show SMILES Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C14H11N7S/c15-10-3-9(5-16-7-10)13-20-21-14(22-13)18-11-1-2-12-8(4-11)6-17-19-12/h1-7H,15H2,(H,17,19)(H,18,21)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295730
PNG
(US10112935, Compound A-30)
Show SMILES N(c1nnc(s1)-c1cccc(c1)-c1ncco1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H12N6OS/c1-2-11(16-19-6-7-25-16)8-12(3-1)17-23-24-18(26-17)21-14-4-5-15-13(9-14)10-20-22-15/h1-10H,(H,20,22)(H,21,24)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295742
PNG
(US10112935, Compound A-42)
Show SMILES Cn1ccc(n1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C20H16N8OS/c1-28-8-7-17(27-28)18(29)22-14-4-2-3-12(9-14)19-25-26-20(30-19)23-15-5-6-16-13(10-15)11-21-24-16/h2-11H,1H3,(H,21,24)(H,22,29)(H,23,26)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295750
PNG
(US10112935, Compound A-50)
Show SMILES O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1cccnc1
Show InChI InChI=1S/C21H15N7OS/c29-19(14-4-2-8-22-11-14)24-16-5-1-3-13(9-16)20-27-28-21(30-20)25-17-6-7-18-15(10-17)12-23-26-18/h1-12H,(H,23,26)(H,24,29)(H,25,28)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295756
PNG
(US10112935, Compound 35F)
Show SMILES CCCOC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C18H16ClN7O2S/c1-2-7-28-18(27)23-14-8-10(5-6-20-14)16-25-26-17(29-16)22-13-4-3-12-11(15(13)19)9-21-24-12/h3-6,8-9H,2,7H2,1H3,(H,21,24)(H,22,26)(H,20,23,27)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295757
PNG
(N-(4-(5-((4-Chloro-1H-indazol-5-yl)amino)-1,3,4-th...)
Show SMILES Cn1cc(CC(=O)Nc2cc(ccn2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn1
Show InChI InChI=1S/C20H16ClN9OS/c1-30-10-11(8-24-30)6-17(31)26-16-7-12(4-5-22-16)19-28-29-20(32-19)25-15-3-2-14-13(18(15)21)9-23-27-14/h2-5,7-10H,6H2,1H3,(H,23,27)(H,25,29)(H,22,26,31)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295770
PNG
(US10112935, Compound 75D)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C21H21ClN8OS/c1-29-8-10-30(11-9-29)21(31)24-14-4-2-13(3-5-14)19-27-28-20(32-19)25-17-7-6-16-15(18(17)22)12-23-26-16/h2-7,12H,8-11H2,1H3,(H,23,26)(H,24,31)(H,25,28)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295773
PNG
(US10112935, Compound 35V)
Show SMILES CC(C)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C19H17ClN6OS/c1-10(2)17(27)22-12-5-3-4-11(8-12)18-25-26-19(28-18)23-15-7-6-14-13(16(15)20)9-21-24-14/h3-10H,1-2H3,(H,21,24)(H,22,27)(H,23,26)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295773
PNG
(US10112935, Compound 35V)
Show SMILES CC(C)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C19H17ClN6OS/c1-10(2)17(27)22-12-5-3-4-11(8-12)18-25-26-19(28-18)23-15-7-6-14-13(16(15)20)9-21-24-14/h3-10H,1-2H3,(H,21,24)(H,22,27)(H,23,26)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295783
PNG
(US10112935, Compound 35AE)
Show SMILES CC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C16H12ClN7OS/c1-8(25)20-13-6-9(4-5-18-13)15-23-24-16(26-15)21-12-3-2-11-10(14(12)17)7-19-22-11/h2-7H,1H3,(H,19,22)(H,21,24)(H,18,20,25)
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Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295785
PNG
(US10112935, Compound 35AG)
Show SMILES CC(=O)Oc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C17H12ClN5O2S/c1-9(24)25-11-4-2-3-10(7-11)16-22-23-17(26-16)20-14-6-5-13-12(15(14)18)8-19-21-13/h2-8H,1H3,(H,19,21)(H,20,23)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295788
PNG
(US10112935, Compound 35AJ)
Show SMILES OC1(COC1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C18H14ClN5O2S/c19-15-12-7-20-22-13(12)4-5-14(15)21-17-24-23-16(27-17)10-2-1-3-11(6-10)18(25)8-26-9-18/h1-7,25H,8-9H2,(H,20,22)(H,21,24)
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Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295791
PNG
(US10112935, Compound 35AM)
Show SMILES CC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C17H12ClN5OS/c1-9(24)10-3-2-4-11(7-10)16-22-23-17(25-16)20-14-6-5-13-12(15(14)18)8-19-21-13/h2-8H,1H3,(H,19,21)(H,20,23)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295793
PNG
(US10112935, Compound 35AO)
Show SMILES Cc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)nc1
Show InChI InChI=1S/C23H18ClN7OS/c1-13-5-6-15(25-11-13)10-20(32)27-16-4-2-3-14(9-16)22-30-31-23(33-22)28-19-8-7-18-17(21(19)24)12-26-29-18/h2-9,11-12H,10H2,1H3,(H,26,29)(H,27,32)(H,28,31)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295804
PNG
(US10112935, Compound 35BA)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C21H22ClN7OS/c1-11(2)8-15(23)19(30)25-13-5-3-4-12(9-13)20-28-29-21(31-20)26-17-7-6-16-14(18(17)22)10-24-27-16/h3-7,9-11,15H,8,23H2,1-2H3,(H,24,27)(H,25,30)(H,26,29)/t15-/m0/s1
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Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295818
PNG
(US10112935, Compound 35BO)
Show SMILES Fc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
Show InChI InChI=1S/C23H16ClFN6OS/c24-21-17-12-26-29-18(17)8-9-19(21)28-23-31-30-22(33-23)14-2-1-3-16(11-14)27-20(32)10-13-4-6-15(25)7-5-13/h1-9,11-12H,10H2,(H,26,29)(H,27,32)(H,28,31)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295822
PNG
(US10112935, Compound 35BS)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C23H17ClN6O2S/c1-32-16-7-5-13(6-8-16)21(31)26-15-4-2-3-14(11-15)22-29-30-23(33-22)27-19-10-9-18-17(20(19)24)12-25-28-18/h2-12H,1H3,(H,25,28)(H,26,31)(H,27,30)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295828
PNG
(BDBM295829 | US10112935, Compound 75I)
Show SMILES Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C19H15N9OS/c1-28-10-13(9-22-28)17(29)24-16-7-11(4-5-20-16)18-26-27-19(30-18)23-14-2-3-15-12(6-14)8-21-25-15/h2-10H,1H3,(H,21,25)(H,23,27)(H,20,24,29)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295833
PNG
(US10112935, Compound 35CB)
Show SMILES CC(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C17H12F2N6OS/c1-8(26)21-11-5-12(15(19)13(18)6-11)16-24-25-17(27-16)22-10-2-3-14-9(4-10)7-20-23-14/h2-7H,1H3,(H,20,23)(H,21,26)(H,22,25)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295837
PNG
(US10112935, Compound 35CF)
Show SMILES NCc1cncc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C22H18N8OS/c23-9-13-6-16(11-24-10-13)20(31)26-17-3-1-2-14(7-17)21-29-30-22(32-21)27-18-4-5-19-15(8-18)12-25-28-19/h1-8,10-12H,9,23H2,(H,25,28)(H,26,31)(H,27,30)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295840
PNG
(US10112935, Compound 35CI)
Show SMILES OCC(O)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C18H16N6O3S/c25-9-15(26)16(27)20-12-3-1-2-10(6-12)17-23-24-18(28-17)21-13-4-5-14-11(7-13)8-19-22-14/h1-8,15,25-26H,9H2,(H,19,22)(H,20,27)(H,21,24)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295842
PNG
(US10112935, Compound 35CK)
Show SMILES NCc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C22H18N8OS/c23-10-18-5-4-14(11-24-18)20(31)26-16-3-1-2-13(8-16)21-29-30-22(32-21)27-17-6-7-19-15(9-17)12-25-28-19/h1-9,11-12H,10,23H2,(H,25,28)(H,26,31)(H,27,30)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295860
PNG
(US10112935, Compound 39A)
Show SMILES Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2CCN2CCOCC2)ccc2[nH]ncc12
Show InChI InChI=1S/C24H23ClN8OS/c25-21-18-15-27-29-19(18)4-5-20(21)28-24-31-30-23(35-24)17-3-1-2-16(14-17)22-26-6-7-33(22)9-8-32-10-12-34-13-11-32/h1-7,14-15H,8-13H2,(H,27,29)(H,28,31)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295871
PNG
(US10112935, Compound 45A)
Show SMILES OCCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C20H16ClN7OS/c21-17-14-11-23-25-15(14)4-5-16(17)24-20-27-26-19(30-20)13-3-1-2-12(10-13)18-22-6-7-28(18)8-9-29/h1-7,10-11,29H,8-9H2,(H,23,25)(H,24,27)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295872
PNG
(N-(4-Chloro-1H-indazol-5-yl)-5-(3-(1-(2-methoxyeth...)
Show SMILES COCCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C21H18ClN7OS/c1-30-10-9-29-8-7-23-19(29)13-3-2-4-14(11-13)20-27-28-21(31-20)25-17-6-5-16-15(18(17)22)12-24-26-16/h2-8,11-12H,9-10H2,1H3,(H,24,26)(H,25,28)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295873
PNG
(US10112935, Compound 46A)
Show SMILES CC(C)n1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C21H18ClN7S/c1-12(2)29-9-8-23-19(29)13-4-3-5-14(10-13)20-27-28-21(30-20)25-17-7-6-16-15(18(17)22)11-24-26-16/h3-12H,1-2H3,(H,24,26)(H,25,28)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295875
PNG
(US10112935, Compound 46C)
Show SMILES Cc1coc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C19H13ClN6OS/c1-10-9-27-17(22-10)11-3-2-4-12(7-11)18-25-26-19(28-18)23-15-6-5-14-13(16(15)20)8-21-24-14/h2-9H,1H3,(H,21,24)(H,23,26)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295878
PNG
(US10112935, Compound 46F)
Show SMILES CC1(C)COC(=N1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C20H17ClN6OS/c1-20(2)10-28-17(24-20)11-4-3-5-12(8-11)18-26-27-19(29-18)23-15-7-6-14-13(16(15)21)9-22-25-14/h3-9H,10H2,1-2H3,(H,22,25)(H,23,27)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295900
PNG
(US10112935, Compound 48K)
Show SMILES CC(=O)Nc1cc(cc(c1)C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C18H12ClF3N6OS/c1-8(29)24-11-5-9(4-10(6-11)18(20,21)22)16-27-28-17(30-16)25-14-3-2-13-12(15(14)19)7-23-26-13/h2-7H,1H3,(H,23,26)(H,24,29)(H,25,28)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295906
PNG
(US10112935, Compound 48Q)
Show SMILES CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H22ClN7O4S/c1-12(33)27-16-9-14(8-15(10-16)22(34)32-6-4-13(5-7-32)23(35)36)21-30-31-24(37-21)28-19-3-2-18-17(20(19)25)11-26-29-18/h2-3,8-11,13H,4-7H2,1H3,(H,26,29)(H,27,33)(H,28,31)(H,35,36)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295908
PNG
(US10112935, Compound 75S)
Show SMILES CC(=O)Nc1cc(CC(O)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C19H15ClN6O3S/c1-9(27)22-12-5-10(6-16(28)29)4-11(7-12)18-25-26-19(30-18)23-15-3-2-14-13(17(15)20)8-21-24-14/h2-5,7-8H,6H2,1H3,(H,21,24)(H,22,27)(H,23,26)(H,28,29)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295924
PNG
(US10112935, Compound 50B)
Show SMILES FC(F)(F)c1nc2c(cc(Br)cn2n1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C16H7BrClF3N8S/c17-6-3-7(12-24-14(16(19,20)21)28-29(12)5-6)13-26-27-15(30-13)23-10-2-1-9-8(11(10)18)4-22-25-9/h1-5H,(H,22,25)(H,23,27)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295925
PNG
(US10112935, Compound 50C)
Show SMILES Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCCO2)ccc2[nH]ncc12
Show InChI InChI=1S/C20H16ClN7OS/c21-17-12-9-22-25-13(12)5-6-14(17)24-20-27-26-19(30-20)11-3-1-7-28-10-15(23-18(11)28)16-4-2-8-29-16/h1,3,5-7,9-10,16H,2,4,8H2,(H,22,25)(H,24,27)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295927
PNG
(US10112935, Compound 50E)
Show SMILES OC(=O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
Show InChI InChI=1S/C23H14ClN7O2S/c24-19-15-10-25-28-16(15)7-8-17(19)27-23-30-29-21(34-23)14-2-1-9-31-11-18(26-20(14)31)12-3-5-13(6-4-12)22(32)33/h1-11H,(H,25,28)(H,27,30)(H,32,33)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295928
PNG
(1-(4-(8-(5-((4-Chloro-1H-indazol-5-yl)amino)-1,3,4...)
Show SMILES CC(=O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
Show InChI InChI=1S/C24H16ClN7OS/c1-13(33)14-4-6-15(7-5-14)20-12-32-10-2-3-16(22(32)27-20)23-30-31-24(34-23)28-19-9-8-18-17(21(19)25)11-26-29-18/h2-12H,1H3,(H,26,29)(H,28,31)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295711
PNG
(BDBM295845 | US10112935, Compound A-11)
Show SMILES Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C20H15ClN8OS/c1-29-10-12(8-23-29)18(30)24-13-4-2-3-11(7-13)19-27-28-20(31-19)25-16-6-5-15-14(17(16)21)9-22-26-15/h2-10H,1H3,(H,22,26)(H,24,30)(H,25,28)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295735
PNG
(US10112935, Compound A-35)
Show SMILES NC1CCN(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C20H20N8OS/c21-14-6-7-28(11-14)20(29)24-15-3-1-2-12(8-15)18-26-27-19(30-18)23-16-4-5-17-13(9-16)10-22-25-17/h1-5,8-10,14H,6-7,11,21H2,(H,22,25)(H,23,27)(H,24,29)
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Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295739
PNG
(US10112935, Compound A-39)
Show SMILES Cc1cc([nH]n1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Show InChI InChI=1S/C20H16N8OS/c1-11-7-17(26-24-11)18(29)22-14-4-2-3-12(8-14)19-27-28-20(30-19)23-15-5-6-16-13(9-15)10-21-25-16/h2-10H,1H3,(H,21,25)(H,22,29)(H,23,28)(H,24,26)
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Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295753
PNG
(US10112935, Compound 35B)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C21H13ClFN7OS/c22-18-14-10-25-28-15(14)5-6-16(18)26-21-30-29-20(32-21)12-7-8-24-17(9-12)27-19(31)11-1-3-13(23)4-2-11/h1-10H,(H,25,28)(H,26,30)(H,24,27,31)
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US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295761
PNG
(US10112935, Compound 35J)
Show SMILES CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C)s1
Show InChI InChI=1S/C18H16N6OS/c1-10-14-9-19-22-16(14)7-6-15(10)21-18-24-23-17(26-18)12-4-3-5-13(8-12)20-11(2)25/h3-9H,1-2H3,(H,19,22)(H,20,25)(H,21,24)
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Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295768
PNG
(US10112935, Compound 35Q)
Show SMILES FC(F)(F)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C17H10ClF3N6OS/c18-13-10-7-22-25-11(10)4-5-12(13)24-16-27-26-14(29-16)8-2-1-3-9(6-8)23-15(28)17(19,20)21/h1-7H,(H,22,25)(H,23,28)(H,24,27)
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n/an/a<1.00E+3n/an/an/an/an/a25



Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295770
PNG
(US10112935, Compound 75D)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C21H21ClN8OS/c1-29-8-10-30(11-9-29)21(31)24-14-4-2-13(3-5-14)19-27-28-20(32-19)25-17-7-6-16-15(18(17)22)12-23-26-16/h2-7,12H,8-11H2,1H3,(H,23,26)(H,24,31)(H,25,28)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

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


(Homo sapiens (Human))
BDBM295772
PNG
(US10112935, Compound 35U)
Show SMILES CC(C)(O)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C19H17ClN6O2S/c1-19(2,28)17(27)22-11-5-3-4-10(8-11)16-25-26-18(29-16)23-14-7-6-13-12(15(14)20)9-21-24-13/h3-9,28H,1-2H3,(H,21,24)(H,22,27)(H,23,26)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295786
PNG
(US10112935, Compound 35AH)
Show SMILES CC(C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccccn1
Show InChI InChI=1S/C23H18ClN7OS/c1-13(17-7-2-3-10-25-17)21(32)27-15-6-4-5-14(11-15)22-30-31-23(33-22)28-19-9-8-18-16(20(19)24)12-26-29-18/h2-13H,1H3,(H,26,29)(H,27,32)(H,28,31)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295789
PNG
(US10112935, Compound 35AK)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C24H20ClN7O2S/c25-21-17-12-27-30-19(17)8-9-20(21)29-24-32-31-23(35-24)14-2-1-3-15(11-14)28-22(34)18(26)10-13-4-6-16(33)7-5-13/h1-9,11-12,18,33H,10,26H2,(H,27,30)(H,28,34)(H,29,32)/t18-/m0/s1
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295792
PNG
(US10112935, Compound 75F)
Show SMILES CC(C)(O)CNC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C20H19ClN6O2S/c1-20(2,29)10-22-17(28)11-4-3-5-12(8-11)18-26-27-19(30-18)24-15-7-6-14-13(16(15)21)9-23-25-14/h3-9,29H,10H2,1-2H3,(H,22,28)(H,23,25)(H,24,27)
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Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM295799
PNG
(US10112935, Compound 35AV)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Show InChI InChI=1S/C24H20ClN7OS/c25-21-17-13-27-30-19(17)9-10-20(21)29-24-32-31-23(34-24)15-7-4-8-16(12-15)28-22(33)18(26)11-14-5-2-1-3-6-14/h1-10,12-13,18H,11,26H2,(H,27,30)(H,28,33)(H,29,32)/t18-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/a25



Lycera Corporation

US Patent


Assay Description
Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain...


US Patent US10112935 (2018)

More data for this
Ligand-Target Pair
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