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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'slade' and Initial = 'dj'   
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 [11-552]


(Homo sapiens (Human))
BDBM97666
PNG
(US8476295, 1.1.04)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO |THB:14:12:8.9:6|
Show InChI InChI=1S/C24H30N4O2/c1-16-2-3-17(10-24(16)30-9-8-29)15-28-21-5-6-22(28)13-20(12-21)26-19-4-7-23-18(11-19)14-25-27-23/h2-4,7,10-11,14,20-22,26,29H,5-6,8-9,12-13,15H2,1H3,(H,25,27)
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US Patent
10n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 [11-552]


(Homo sapiens (Human))
BDBM97664
PNG
(US8476295, 1.1.02)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1 |THB:14:12:8.9:6|
Show InChI InChI=1S/C22H26N4/c1-15-2-4-16(5-3-15)14-26-20-7-8-21(26)12-19(11-20)24-18-6-9-22-17(10-18)13-23-25-22/h2-6,9-10,13,19-21,24H,7-8,11-12,14H2,1H3,(H,23,25)
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20n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 [11-552]


(Homo sapiens (Human))
BDBM97665
PNG
(US8476295, 1.1.03)
Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1 |THB:18:16:12.13:10|
Show InChI InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)
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21n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 [11-552]


(Homo sapiens (Human))
BDBM97663
PNG
(US8476295, 1.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C21H24N4/c1-2-4-15(5-3-1)14-25-19-7-8-20(25)12-18(11-19)23-17-6-9-21-16(10-17)13-22-24-21/h1-6,9-10,13,18-20,23H,7-8,11-12,14H2,(H,22,24)
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29n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM97666
PNG
(US8476295, 1.1.04)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO |THB:14:12:8.9:6|
Show InChI InChI=1S/C24H30N4O2/c1-16-2-3-17(10-24(16)30-9-8-29)15-28-21-5-6-22(28)13-20(12-21)26-19-4-7-23-18(11-19)14-25-27-23/h2-4,7,10-11,14,20-22,26,29H,5-6,8-9,12-13,15H2,1H3,(H,25,27)
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35n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM97665
PNG
(US8476295, 1.1.03)
Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1 |THB:18:16:12.13:10|
Show InChI InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)
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59n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM97663
PNG
(US8476295, 1.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C21H24N4/c1-2-4-15(5-3-1)14-25-19-7-8-20(25)12-18(11-19)23-17-6-9-21-16(10-17)13-22-24-21/h1-6,9-10,13,18-20,23H,7-8,11-12,14H2,(H,22,24)
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72n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM97664
PNG
(US8476295, 1.1.02)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1 |THB:14:12:8.9:6|
Show InChI InChI=1S/C22H26N4/c1-15-2-4-16(5-3-15)14-26-20-7-8-21(26)12-19(11-20)24-18-6-9-22-17(10-18)13-23-25-22/h2-6,9-10,13,19-21,24H,7-8,11-12,14H2,1H3,(H,23,25)
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91n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 [11-552]


(Homo sapiens (Human))
BDBM97667
PNG
(US8476295, 2.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1cccc2[nH]ncc12)c1ccccc1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H25N3/c1-2-5-17(6-3-1)16-26-20-9-10-21(26)14-19(13-20)25-23-8-4-7-18-15-24-12-11-22(18)23/h1-8,11-12,15,19-21,25H,9-10,13-14,16H2
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220n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 [11-552]


(Homo sapiens (Human))
BDBM97668
PNG
(US8476295, 3.1.01)
Show SMILES C(N1CC2CCC1C2Nc1ccc2[nH]ncc2c1)c1ccccc1 |TLB:0:1:5.4:7,8:7:1.2:5.4|
Show InChI InChI=1S/C20H22N4/c1-2-4-14(5-3-1)12-24-13-15-6-9-19(24)20(15)22-17-7-8-18-16(10-17)11-21-23-18/h1-5,7-8,10-11,15,19-20,22H,6,9,12-13H2,(H,21,23)
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464n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM97667
PNG
(US8476295, 2.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1cccc2[nH]ncc12)c1ccccc1 |THB:9:7:3.4:1|
Show InChI InChI=1S/C23H25N3/c1-2-5-17(6-3-1)16-26-20-9-10-21(26)14-19(13-20)25-23-8-4-7-18-15-24-12-11-22(18)23/h1-8,11-12,15,19-21,25H,9-10,13-14,16H2
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806n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 [17-535]


(Homo Sapiens (Human))
BDBM97668
PNG
(US8476295, 3.1.01)
Show SMILES C(N1CC2CCC1C2Nc1ccc2[nH]ncc2c1)c1ccccc1 |TLB:0:1:5.4:7,8:7:1.2:5.4|
Show InChI InChI=1S/C20H22N4/c1-2-4-14(5-3-1)12-24-13-15-6-9-19(24)20(15)22-17-7-8-18-16(10-17)11-21-23-18/h1-5,7-8,10-11,15,19-20,22H,6,9,12-13H2,(H,21,23)
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976n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)


BindingDB Entry DOI: 10.7270/Q2H993TS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107901
PNG
(US8604218, 1.052)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2occc2c1
Show InChI InChI=1S/C21H22N4O/c1-2-19(23-18-4-5-20-17(11-18)12-22-24-20)14-25(8-1)13-15-3-6-21-16(10-15)7-9-26-21/h3-7,9-12,19,23H,1-2,8,13-14H2,(H,22,24)
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n/an/a 15.3n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107948
PNG
(US8604218, 1.099)
Show SMILES NC(=O)Cn1ccc2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc12
Show InChI InChI=1S/C23H26N6O/c24-23(30)15-29-9-7-17-4-3-16(10-22(17)29)13-28-8-1-2-20(14-28)26-19-5-6-21-18(11-19)12-25-27-21/h3-7,9-12,20,26H,1-2,8,13-15H2,(H2,24,30)(H,25,27)
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n/an/a 25.8n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107938
PNG
(US8604218, 1.089)
Show SMILES Nc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C19H22ClN5/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12,21H2,(H,22,24)
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n/an/a 29.4n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM108011
PNG
(US8604218, 2.025)
Show SMILES Cc1ccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)cc1 |r|
Show InChI InChI=1S/C21H23N3/c1-16-5-7-17(8-6-16)14-24-12-10-19(15-24)23-21-4-2-3-18-13-22-11-9-20(18)21/h2-9,11,13,19,23H,10,12,14-15H2,1H3/t19-/m1/s1
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n/an/a 29.9n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107930
PNG
(US8604218, 1.081)
Show SMILES Clc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)/t18-/m0/s1
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n/an/a 30.1n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107931
PNG
(US8604218, 1.082)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C21H23N5/c1-2-19(24-18-5-6-20-17(11-18)12-23-25-20)14-26(9-1)13-15-3-4-16-7-8-22-21(16)10-15/h3-8,10-12,19,22,24H,1-2,9,13-14H2,(H,23,25)
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n/an/a 30.4n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107908
PNG
(US8604218, 1.059)
Show SMILES Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1O
Show InChI InChI=1S/C20H24N4O/c1-14-4-5-15(9-20(14)25)12-24-8-2-3-18(13-24)22-17-6-7-19-16(10-17)11-21-23-19/h4-7,9-11,18,22,25H,2-3,8,12-13H2,1H3,(H,21,23)
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n/an/a 32n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107951
PNG
(US8604218, 1.102)
Show SMILES CS(=O)(=O)Nc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)ccc1Cl
Show InChI InChI=1S/C20H24ClN5O2S/c1-29(27,28)25-20-9-14(4-6-18(20)21)12-26-8-2-3-17(13-26)23-16-5-7-19-15(10-16)11-22-24-19/h4-7,9-11,17,23,25H,2-3,8,12-13H2,1H3,(H,22,24)
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n/an/a 34.3n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107949
PNG
(US8604218, 1.100)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C21H23N5/c1-2-19(24-18-4-6-21-17(11-18)12-23-25-21)14-26(9-1)13-15-3-5-20-16(10-15)7-8-22-20/h3-8,10-12,19,22,24H,1-2,9,13-14H2,(H,23,25)
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n/an/a 42.9n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107907
PNG
(US8604218, 1.058)
Show SMILES Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1OCCO
Show InChI InChI=1S/C22H28N4O2/c1-16-4-5-17(11-22(16)28-10-9-27)14-26-8-2-3-20(15-26)24-19-6-7-21-18(12-19)13-23-25-21/h4-7,11-13,20,24,27H,2-3,8-10,14-15H2,1H3,(H,23,25)
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n/an/a 47.5n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107940
PNG
(US8604218, 1.091)
Show SMILES CS(=O)(=O)Nc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Show InChI InChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)/t19-/m0/s1
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n/an/a 49.4n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107926
PNG
(US8604218, 1.077)
Show SMILES C#Cc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C21H22N4/c1-2-16-5-7-17(8-6-16)14-25-11-3-4-20(15-25)23-19-9-10-21-18(12-19)13-22-24-21/h1,5-10,12-13,20,23H,3-4,11,14-15H2,(H,22,24)/t20-/m0/s1
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n/an/a 53.1n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107896
PNG
(US8604218, 1.047)
Show SMILES C#Cc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C21H22N4/c1-2-16-5-3-6-17(11-16)14-25-10-4-7-20(15-25)23-19-8-9-21-18(12-19)13-22-24-21/h1,3,5-6,8-9,11-13,20,23H,4,7,10,14-15H2,(H,22,24)
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n/an/a 57n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107921
PNG
(US8604218, 1.072)
Show SMILES Fc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1F |r|
Show InChI InChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)/t16-/m0/s1
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n/an/a 58.5n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107973
PNG
(US8604218, 1.124)
Show SMILES CCS(=O)(=O)Nc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Show InChI InChI=1S/C21H27N5O2S/c1-2-29(27,28)25-19-6-3-5-16(11-19)14-26-10-4-7-20(15-26)23-18-8-9-21-17(12-18)13-22-24-21/h3,5-6,8-9,11-13,20,23,25H,2,4,7,10,14-15H2,1H3,(H,22,24)/t20-/m0/s1
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n/an/a 59.2n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107900
PNG
(US8604218, 1.051)
Show SMILES CS(=O)(=O)Nc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)
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n/an/a 62.6n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107927
PNG
(US8604218, 1.078)
Show SMILES Cc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23)/t19-/m0/s1
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n/an/a 63.1n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107857
PNG
(US8604218, 1.008)
Show SMILES CSc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)
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n/an/a 65.8n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107950
PNG
(US8604218, 1.101)
Show SMILES OCCn1ccc2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc12
Show InChI InChI=1S/C23H27N5O/c29-11-10-28-9-7-18-4-3-17(12-23(18)28)15-27-8-1-2-21(16-27)25-20-5-6-22-19(13-20)14-24-26-22/h3-7,9,12-14,21,25,29H,1-2,8,10-11,15-16H2,(H,24,26)
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n/an/a 68.5n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107883
PNG
(US8604218, 1.034)
Show SMILES C#Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H22N4/c1-2-16-5-7-17(8-6-16)14-25-11-3-4-20(15-25)23-19-9-10-21-18(12-19)13-22-24-21/h1,5-10,12-13,20,23H,3-4,11,14-15H2,(H,22,24)
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n/an/a 69.1n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107955
PNG
(US8604218, 1.106)
Show SMILES NC(=O)Cn1ccc2ccc(CN3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)cc12 |r|
Show InChI InChI=1S/C23H26N6O/c24-23(30)15-29-9-7-17-4-3-16(10-22(17)29)13-28-8-1-2-20(14-28)26-19-5-6-21-18(11-19)12-25-27-21/h3-7,9-12,20,26H,1-2,8,13-15H2,(H2,24,30)(H,25,27)/t20-/m1/s1
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n/an/a 69.2n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107886
PNG
(US8604218, 1.037)
Show SMILES C=Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H24N4/c1-2-16-5-7-17(8-6-16)14-25-11-3-4-20(15-25)23-19-9-10-21-18(12-19)13-22-24-21/h2,5-10,12-13,20,23H,1,3-4,11,14-15H2,(H,22,24)
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n/an/a 69.5n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107923
PNG
(US8604218, 1.074)
Show SMILES CSc1ccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m1/s1
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n/an/a 71.6n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107992
PNG
(US8604218, 2.006)
Show SMILES C(N1CCC(C1)Nc1cccc2cnccc12)c1ccccc1
Show InChI InChI=1S/C20H21N3/c1-2-5-16(6-3-1)14-23-12-10-18(15-23)22-20-8-4-7-17-13-21-11-9-19(17)20/h1-9,11,13,18,22H,10,12,14-15H2
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n/an/a 73.9n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107924
PNG
(US8604218, 1.075)
Show SMILES CSc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C20H24N4S/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 74.5n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107882
PNG
(US8604218, 1.033)
Show SMILES CCc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H26N4/c1-2-16-5-7-17(8-6-16)14-25-11-3-4-20(15-25)23-19-9-10-21-18(12-19)13-22-24-21/h5-10,12-13,20,23H,2-4,11,14-15H2,1H3,(H,22,24)
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n/an/a 86.9n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM108017
PNG
(US8604218, 2.031)
Show SMILES C#Cc1ccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)cc1 |r|
Show InChI InChI=1S/C22H21N3/c1-2-17-6-8-18(9-7-17)15-25-13-11-20(16-25)24-22-5-3-4-19-14-23-12-10-21(19)22/h1,3-10,12,14,20,24H,11,13,15-16H2/t20-/m1/s1
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n/an/a 87.1n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107909
PNG
(US8604218, 1.060)
Show SMILES CCOC(=O)COc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C23H28N4O3/c1-2-29-23(28)16-30-21-7-3-5-17(11-21)14-27-10-4-6-20(15-27)25-19-8-9-22-18(12-19)13-24-26-22/h3,5,7-9,11-13,20,25H,2,4,6,10,14-16H2,1H3,(H,24,26)
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n/an/a 87.2n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107987
PNG
(US8604218, 2.001)
Show SMILES COc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H25N3O/c1-26-20-9-7-17(8-10-20)15-25-13-3-5-19(16-25)24-22-6-2-4-18-14-23-12-11-21(18)22/h2,4,6-12,14,19,24H,3,5,13,15-16H2,1H3
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n/an/a 98.8n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107942
PNG
(US8604218, 1.093)
Show SMILES CS(=O)(=O)Nc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Show InChI InChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)/t19-/m1/s1
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n/an/a 101n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM108025
PNG
(US8604218, 2.039)
Show SMILES OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
Show InChI InChI=1S/C22H25N3O2/c26-11-12-27-20-5-1-3-17(13-20)15-25-10-8-19(16-25)24-22-6-2-4-18-14-23-9-7-21(18)22/h1-7,9,13-14,19,24,26H,8,10-12,15-16H2/t19-/m1/s1
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n/an/a 101n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107928
PNG
(US8604218, 1.079)
Show SMILES COc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C20H24N4O/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 102n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107873
PNG
(US8604218, 1.024)
Show SMILES Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c(C)c1
Show InChI InChI=1S/C21H26N4/c1-15-5-6-17(16(2)10-15)13-25-9-3-4-20(14-25)23-19-7-8-21-18(11-19)12-22-24-21/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,22,24)
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n/an/a 107n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107953
PNG
(US8604218, 1.104)
Show SMILES OCCN1CCc2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc12
Show InChI InChI=1S/C23H29N5O/c29-11-10-28-9-7-18-4-3-17(12-23(18)28)15-27-8-1-2-21(16-27)25-20-5-6-22-19(13-20)14-24-26-22/h3-6,12-14,21,25,29H,1-2,7-11,15-16H2,(H,24,26)
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n/an/a 107n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107969
PNG
(US8604218, 1.120)
Show SMILES CCS(=O)(=O)Nc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C21H27N5O2S/c1-2-29(27,28)25-19-6-3-5-16(11-19)14-26-10-4-7-20(15-26)23-18-8-9-21-17(12-18)13-22-24-21/h3,5-6,8-9,11-13,20,23,25H,2,4,7,10,14-15H2,1H3,(H,22,24)
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n/an/a 109n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107922
PNG
(US8604218, 1.073)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)cc1F |r|
Show InChI InChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)/t16-/m1/s1
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n/an/a 111n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM107925
PNG
(US8604218, 1.076)
Show SMILES C#Cc1ccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Show InChI InChI=1S/C21H22N4/c1-2-16-5-7-17(8-6-16)14-25-11-3-4-20(15-25)23-19-9-10-21-18(12-19)13-22-24-21/h1,5-10,12-13,20,23H,3-4,11,14-15H2,(H,22,24)/t20-/m1/s1
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n/an/a 111n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM108024
PNG
(US8604218, 2.038)
Show SMILES CS(=O)(=O)Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-28(26,27)24-18-6-2-4-16(12-18)14-25-11-9-19(15-25)23-21-7-3-5-17-13-22-10-8-20(17)21/h2-8,10,12-13,19,23-24H,9,11,14-15H2,1H3/t19-/m1/s1
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n/an/a 112n/an/an/an/a7.2n/a



Inspire Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemi...


US Patent US8604218 (2013)


BindingDB Entry DOI: 10.7270/Q2319TJD
More data for this
Ligand-Target Pair
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