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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50006079   
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))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 0.560n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199250
PNG
(US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...)
Show SMILES Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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n/an/a 6n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199244
PNG
(US9221808, 1al)
Show SMILES COc1cccc(CNC(=O)N(C)c2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C18H18N4O2S/c1-22(17(23)20-11-13-4-3-5-15(10-13)24-2)18-21-16(12-25-18)14-6-8-19-9-7-14/h3-10,12H,11H2,1-2H3,(H,20,23)
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n/an/a 7n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199303
PNG
(US9221808, 1bh)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
Show InChI InChI=1S/C18H18N4O2S/c1-12(14-4-3-5-15(10-14)24-2)20-17(23)22-18-21-16(11-25-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H2,20,21,22,23)/t12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199292
PNG
(US9221808, 1at)
Show SMILES OC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H16N4O2S/c22-10-14(12-4-2-1-3-5-12)19-16(23)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h1-9,11,14,22H,10H2,(H2,19,20,21,23)/t14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199236
PNG
(US9221808, 1af | US9221808, 1af-HCl | US9221808, 1...)
Show SMILES COc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C17H16N4O2S/c1-23-14-4-2-3-12(9-14)10-19-16(22)21-17-20-15(11-24-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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n/an/a 11n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199286
PNG
(US9221808, 1ah)
Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199245
PNG
(US9221808, 1cm)
Show SMILES COc1cccc(CN(C)C(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C18H18N4O2S/c1-22(11-13-4-3-5-15(10-13)24-2)18(23)21-17-20-16(12-25-17)14-6-8-19-9-7-14/h3-10,12H,11H2,1-2H3,(H,20,21,23)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199246
PNG
(US9221808, 1ay)
Show SMILES Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H15N5OS/c17-13-3-1-2-11(8-13)9-19-15(22)21-16-20-14(10-23-16)12-4-6-18-7-5-12/h1-8,10H,9,17H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199293
PNG
(US9221808, 1ar)
Show SMILES OCC(NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C17H16N4O2S/c22-10-14(12-4-2-1-3-5-12)19-16(23)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h1-9,11,14,22H,10H2,(H2,19,20,21,23)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199299
PNG
(US9221808, 1bj)
Show SMILES COC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N4O2S/c1-24-11-15(13-5-3-2-4-6-13)20-17(23)22-18-21-16(12-25-18)14-7-9-19-10-8-14/h2-10,12,15H,11H2,1H3,(H2,20,21,22,23)/t15-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199295
PNG
(US9221808, 1be)
Show SMILES CC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N4OS/c1-2-15(13-6-4-3-5-7-13)20-17(23)22-18-21-16(12-24-18)14-8-10-19-11-9-14/h3-12,15H,2H2,1H3,(H2,20,21,22,23)/t15-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199297
PNG
(US9221808, 1cp)
Show SMILES NC(=O)[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N5O2S/c18-15(23)14(12-4-2-1-3-5-12)21-16(24)22-17-20-13(10-25-17)11-6-8-19-9-7-11/h1-10,14H,(H2,18,23)(H2,20,21,22,24)/t14-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199308
PNG
(US9221808, 1cc)
Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H15FN4OS/c1-11(13-3-2-4-14(18)9-13)20-16(23)22-17-21-15(10-24-17)12-5-7-19-8-6-12/h2-11H,1H3,(H2,20,21,22,23)/t11-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199288
PNG
(US9221808, 1cn)
Show SMILES C[C@@H](N(C)C(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N4OS/c1-13(14-6-4-3-5-7-14)22(2)18(23)21-17-20-16(12-24-17)15-8-10-19-11-9-15/h3-13H,1-2H3,(H,20,21,23)/t13-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199264
PNG
(US9221808, 1aj)
Show SMILES Fc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H13FN4OS/c17-13-3-1-2-11(8-13)9-19-15(22)21-16-20-14(10-23-16)12-4-6-18-7-5-12/h1-8,10H,9H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199230
PNG
(US9221808, 1aa)
Show SMILES O=C(NCc1ccccc1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H14N4OS/c21-15(18-10-12-4-2-1-3-5-12)20-16-19-14(11-22-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H2,18,19,20,21)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199268
PNG
(US9221808, 1an)
Show SMILES Clc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H13ClN4OS/c17-13-3-1-2-11(8-13)9-19-15(22)21-16-20-14(10-23-16)12-4-6-18-7-5-12/h1-8,10H,9H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199235
PNG
(US9221808, 1au)
Show SMILES CN(Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C17H16N4OS/c1-21(11-13-5-3-2-4-6-13)17(22)20-16-19-15(12-23-16)14-7-9-18-10-8-14/h2-10,12H,11H2,1H3,(H,19,20,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199335
PNG
(US9221808, 1cb)
Show SMILES C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C17H15ClN4OS/c1-11(13-3-2-4-14(18)9-13)20-16(23)22-17-21-15(10-24-17)12-5-7-19-8-6-12/h2-11H,1H3,(H2,20,21,22,23)/t11-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199255
PNG
(US9221808, 1ch)
Show SMILES CS(=O)(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C17H17N5O3S2/c1-27(24,25)22-14-4-2-3-12(9-14)10-19-16(23)21-17-20-15(11-26-17)13-5-7-18-8-6-13/h2-9,11,22H,10H2,1H3,(H2,19,20,21,23)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199269
PNG
(US9221808, 1ae)
Show SMILES Clc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H13ClN4OS/c17-13-4-2-1-3-12(13)9-19-15(22)21-16-20-14(10-23-16)11-5-7-18-8-6-11/h1-8,10H,9H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199272
PNG
(US9221808, 1bt)
Show SMILES Cc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C17H16N4OS/c1-12-4-2-3-5-14(12)10-19-16(22)21-17-20-15(11-23-17)13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199271
PNG
(US9221808, 1ba)
Show SMILES Cc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C17H16N4OS/c1-12-3-2-4-13(9-12)10-19-16(22)21-17-20-15(11-23-17)14-5-7-18-8-6-14/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199266
PNG
(US9221808, 1ac)
Show SMILES Fc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H13FN4OS/c17-13-4-2-1-3-12(13)9-19-15(22)21-16-20-14(10-23-16)11-5-7-18-8-6-11/h1-8,10H,9H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199254
PNG
(US9221808, 1ci)
Show SMILES CC(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C18H17N5O2S/c1-12(24)21-15-4-2-3-13(9-15)10-20-17(25)23-18-22-16(11-26-18)14-5-7-19-8-6-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,22,23,25)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199257
PNG
(US9221808, 1ax)
Show SMILES Oc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-11(2-4-13)9-18-15(22)20-16-19-14(10-23-16)12-5-7-17-8-6-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199253
PNG
(US9221808, 1cj)
Show SMILES NC(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C17H16N6O2S/c18-15(24)21-13-3-1-2-11(8-13)9-20-16(25)23-17-22-14(10-26-17)12-4-6-19-7-5-12/h1-8,10H,9H2,(H3,18,21,24)(H2,20,22,23,25)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199267
PNG
(US9221808, 1ak)
Show SMILES Fc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H13FN4OS/c17-13-3-1-11(2-4-13)9-19-15(22)21-16-20-14(10-23-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199258
PNG
(US9221808, 1bm)
Show SMILES COCCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C19H20N4O3S/c1-25-9-10-26-16-4-2-3-14(11-16)12-21-18(24)23-19-22-17(13-27-19)15-5-7-20-8-6-15/h2-8,11,13H,9-10,12H2,1H3,(H2,21,22,23,24)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199256
PNG
(US9221808, 1bp)
Show SMILES Oc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H14N4O2S/c21-14-4-2-1-3-12(14)9-18-15(22)20-16-19-13(10-23-16)11-5-7-17-8-6-11/h1-8,10,21H,9H2,(H2,18,19,20,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199259
PNG
(US9221808, 1bw)
Show SMILES CCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C18H18N4O2S/c1-2-24-15-5-3-4-13(10-15)11-20-17(23)22-18-21-16(12-25-18)14-6-8-19-9-7-14/h3-10,12H,2,11H2,1H3,(H2,20,21,22,23)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199240
PNG
(US9221808, 1ad)
Show SMILES COc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C17H16N4O2S/c1-23-15-5-3-2-4-13(15)10-19-16(22)21-17-20-14(11-24-17)12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199260
PNG
(US9221808, 1bx)
Show SMILES CCCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C19H20N4O2S/c1-2-10-25-16-5-3-4-14(11-16)12-21-18(24)23-19-22-17(13-26-19)15-6-8-20-9-7-15/h3-9,11,13H,2,10,12H2,1H3,(H2,21,22,23,24)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199270
PNG
(US9221808, 1ab)
Show SMILES Clc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H13ClN4OS/c17-13-3-1-11(2-4-13)9-19-15(22)21-16-20-14(10-23-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199289
PNG
(US9221808, 1ai)
Show SMILES C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m0/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199273
PNG
(US9221808, 1bd)
Show SMILES Cc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Show InChI InChI=1S/C17H16N4OS/c1-12-2-4-13(5-3-12)10-19-16(22)21-17-20-15(11-23-17)14-6-8-18-9-7-14/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199298
PNG
(US9221808, 1bv)
Show SMILES NC(=O)[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H15N5O2S/c18-15(23)14(12-4-2-1-3-5-12)21-16(24)22-17-20-13(10-25-17)11-6-8-19-9-7-11/h1-10,14H,(H2,18,23)(H2,20,21,22,24)/t14-/m1/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199294
PNG
(US9221808, 1as)
Show SMILES OC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H16N4O2S/c22-10-14(12-4-2-1-3-5-12)19-16(23)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h1-9,11,14,22H,10H2,(H2,19,20,21,23)/t14-/m0/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199291
PNG
(US9221808, 1co)
Show SMILES C[C@H](N(C)C(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N4OS/c1-13(14-6-4-3-5-7-14)22(2)18(23)21-17-20-16(12-24-17)15-8-10-19-11-9-15/h3-13H,1-2H3,(H,20,21,23)/t13-/m0/s1
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Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199261
PNG
(US9221808, 1bu)
Show SMILES CC(C)Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C19H20N4O2S/c1-13(2)25-16-5-3-4-14(10-16)11-21-18(24)23-19-22-17(12-26-19)15-6-8-20-9-7-15/h3-10,12-13H,11H2,1-2H3,(H2,21,22,23,24)
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n/an/a 3.44E+3n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199307
PNG
(US9221808, 1cf)
Show SMILES C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H15FN4OS/c1-11(13-3-2-4-14(18)9-13)20-16(23)22-17-21-15(10-24-17)12-5-7-19-8-6-12/h2-11H,1H3,(H2,20,21,22,23)/t11-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199304
PNG
(US9221808, 1bg)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
Show InChI InChI=1S/C18H18N4O2S/c1-12(14-4-3-5-15(10-14)24-2)20-17(23)22-18-21-16(11-25-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H2,20,21,22,23)/t12-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199300
PNG
(US9221808, 1bk)
Show SMILES COC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N4O2S/c1-24-11-15(13-5-3-2-4-6-13)20-17(23)22-18-21-16(12-25-18)14-7-9-19-10-8-14/h2-10,12,15H,11H2,1H3,(H2,20,21,22,23)/t15-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199296
PNG
(US9221808, 1bf)
Show SMILES CC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N4OS/c1-2-15(13-6-4-3-5-7-13)20-17(23)22-18-21-16(12-24-18)14-8-10-19-11-9-14/h3-12,15H,2H2,1H3,(H2,20,21,22,23)/t15-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM199248
PNG
(US9221808, 1bn)
Show SMILES O=C(NCc1cccc2[nH]ccc12)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C18H15N5OS/c24-17(21-10-13-2-1-3-15-14(13)6-9-20-15)23-18-22-16(11-25-18)12-4-7-19-8-5-12/h1-9,11,20H,10H2,(H2,21,22,23,24)
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n/an/a 3.11E+4n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay


Medchemcomm 3: 699-709 (2012)


Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R
More data for this
Ligand-Target Pair