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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Rho Kinase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 1


(Homo sapiens (Human))
BDBM97666
PNG
(US8476295, 1.1.04)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO
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
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)

More data for this
Ligand-Target Pair
Rho Kinase 1


(Homo sapiens (Human))
BDBM97665
PNG
(US8476295, 1.1.03)
Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1
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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US Patent
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)

More data for this
Ligand-Target Pair
Rho Kinase 1


(Homo sapiens (Human))
BDBM97663
PNG
(US8476295, 1.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1
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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US Patent
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)

More data for this
Ligand-Target Pair
Rho Kinase 1


(Homo sapiens (Human))
BDBM97664
PNG
(US8476295, 1.1.02)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1
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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US Patent
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)

More data for this
Ligand-Target Pair
Rho Kinase 1


(Homo sapiens (Human))
BDBM97667
PNG
(US8476295, 2.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1cccc2cnccc12)c1ccccc1
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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US Patent
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)

More data for this
Ligand-Target Pair
Rho Kinase 1


(Homo sapiens (Human))
BDBM97668
PNG
(US8476295, 3.1.01)
Show SMILES C(N1CC2CCC1C2Nc1ccc2[nH]ncc2c1)c1ccccc1
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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US Patent
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)

More data for this
Ligand-Target Pair