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Compile Data Set for Download or QSAR

Found 7829 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2'   
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))
BDBM50156774
PNG
(CHEMBL3792888)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1
Show InChI InChI=1S/C19H19N3O2/c20-10-18(14-3-1-13(12-23)2-4-14)19(24)22-17-6-5-16-11-21-8-7-15(16)9-17/h1-9,11,18,23H,10,12,20H2,(H,22,24)
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0.200n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged ROCK2 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127474
BindingDB Entry DOI: 10.7270/Q25142V2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ROCK2 expressed in baculovirus expression system by Kinase-Glo luminescent Assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
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0.200n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50156799
PNG
(CHEMBL3793004)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H17N3O/c19-11-17(13-4-2-1-3-5-13)18(22)21-16-7-6-15-12-20-9-8-14(15)10-16/h1-10,12,17H,11,19H2,(H,21,22)/t17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156788
PNG
(CHEMBL3794104)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3O/c19-15-4-1-12(2-5-15)17(10-20)18(23)22-16-6-3-14-11-21-8-7-13(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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0.400n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156784
PNG
(CHEMBL3792673)
Show SMILES Cc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O/c1-13-2-4-14(5-3-13)18(11-20)19(23)22-17-7-6-16-12-21-9-8-15(16)10-17/h2-10,12,18H,11,20H2,1H3,(H,22,23)
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0.400n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM217096
PNG
(US9302989, 391)
Show SMILES CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2c[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C30H31N5O2/c1-33-12-14-34(15-13-33)18-21-6-7-23-19-35(20-24(23)16-21)30(37)32-25-10-8-22(9-11-25)28-17-31-29(36)27-5-3-2-4-26(27)28/h2-11,16-17H,12-15,18-20H2,1H3,(H,31,36)(H,32,37)
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US Patent
0.490n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156782
PNG
(CHEMBL3792663)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
Show InChI InChI=1S/C18H17N3O2/c19-10-17(12-2-5-16(22)6-3-12)18(23)21-15-4-1-14-11-20-8-7-13(14)9-15/h1-9,11,17,22H,10,19H2,(H,21,23)
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0.600n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156732
PNG
(CHEMBL3793497)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19N3O/c23-13-21(18-6-5-15-3-1-2-4-16(15)11-18)22(26)25-20-8-7-19-14-24-10-9-17(19)12-20/h1-12,14,21H,13,23H2,(H,25,26)
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0.700n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156683
PNG
(CHEMBL3793788)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H22N4O3/c26-13-23(24(30)29-22-8-7-20-14-28-11-9-19(20)12-22)18-5-3-17(4-6-18)16-32-25(31)21-2-1-10-27-15-21/h1-12,14-15,23H,13,16,26H2,(H,29,30)
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0.700n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156787
PNG
(CHEMBL3793404)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl2N3O/c19-13-2-4-15(17(20)8-13)16(9-21)18(24)23-14-3-1-12-10-22-6-5-11(12)7-14/h1-8,10,16H,9,21H2,(H,23,24)
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0.800n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50148579
PNG
(CHEMBL3770836)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-11-17(13-4-2-1-3-5-13)18(22)21-16-7-6-15-12-20-9-8-14(15)10-16/h1-10,12,17H,11,19H2,(H,21,22)
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0.800n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156687
PNG
(CHEMBL3793029)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C27H25N3O3/c28-16-25(27(32)30-24-11-10-23-17-29-13-12-22(23)15-24)21-8-6-20(7-9-21)18-33-26(31)14-19-4-2-1-3-5-19/h1-13,15,17,25H,14,16,18,28H2,(H,30,32)
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0.800n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156789
PNG
(CHEMBL3793505)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O/c19-15-3-1-2-13(8-15)17(10-20)18(23)22-16-5-4-14-11-21-7-6-12(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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0.900n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156685
PNG
(CHEMBL3792412)
Show SMILES Cc1cc(C)cc(c1)C(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C28H27N3O3/c1-18-11-19(2)13-24(12-18)28(33)34-17-20-3-5-21(6-4-20)26(15-29)27(32)31-25-8-7-23-16-30-10-9-22(23)14-25/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)
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0.900n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50546247
PNG
(AR-11324 FREE BASE | AR-13324 | Netarsudil | US114...)
Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r|
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1n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50156794
PNG
(CHEMBL3792666)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(F)c1
Show InChI InChI=1S/C18H16FN3O/c19-15-3-1-2-13(8-15)17(10-20)18(23)22-16-5-4-14-11-21-7-6-12(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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1n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156691
PNG
(CHEMBL3792435)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)CN)cc1
Show InChI InChI=1S/C20H20N4O3/c21-10-18(13-2-5-17(6-3-13)27-19(25)11-22)20(26)24-16-4-1-15-12-23-8-7-14(15)9-16/h1-9,12,18H,10-11,21-22H2,(H,24,26)
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1n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM569294
PNG
(US11427563, Compound 36)
Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μl aliquot of the 10 mM solutions was transfer...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JVK
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156733
PNG
(CHEMBL3793296)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C22H19N3O/c23-13-21(20-7-3-5-15-4-1-2-6-19(15)20)22(26)25-18-9-8-17-14-24-11-10-16(17)12-18/h1-12,14,21H,13,23H2,(H,25,26)
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Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50546247
PNG
(AR-11324 FREE BASE | AR-13324 | Netarsudil | US114...)
Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r|
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TBA

Assay Description
Inhibition of recombinant human GST-tagged ROCK2 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127474
BindingDB Entry DOI: 10.7270/Q25142V2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50515430
PNG
(NETARSUDIL | US11608319, Compound AR-13324)
Show SMILES Cc1ccc(C(=O)OCC2=CCC(C=C2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r,c:13,t:9|
Show InChI InChI=1S/C28H29N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-6,8-14,16,21,26H,7,15,17,29H2,1-2H3,(H,31,32)/t21?,26-/m1/s1
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01511
BindingDB Entry DOI: 10.7270/Q22Z19M2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156793
PNG
(CHEMBL3792921)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O/c19-15-4-1-12(2-5-15)17(10-20)18(23)22-16-6-3-14-11-21-8-7-13(14)9-16/h1-9,11,17H,10,20H2,(H,22,23)
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1n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156795
PNG
(CHEMBL3794270)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1F
Show InChI InChI=1S/C18H16FN3O/c19-17-4-2-1-3-15(17)16(10-20)18(23)22-14-6-5-13-11-21-8-7-12(13)9-14/h1-9,11,16H,10,20H2,(H,22,23)
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1n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156786
PNG
(CHEMBL3793489)
Show SMILES Cc1ccccc1C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O/c1-13-4-2-3-5-17(13)18(11-20)19(23)22-16-7-6-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
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1n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156780
PNG
(CHEMBL3794298)
Show SMILES Cc1cc(ccc1O)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-12-8-14(3-5-18(12)23)17(10-20)19(24)22-16-4-2-15-11-21-7-6-13(15)9-16/h2-9,11,17,23H,10,20H2,1H3,(H,22,24)
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1n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156791
PNG
(CHEMBL3793969)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H15F2N3O/c19-16-4-2-12(8-17(16)20)15(9-21)18(24)23-14-3-1-13-10-22-6-5-11(13)7-14/h1-8,10,15H,9,21H2,(H,23,24)
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1.20n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM572289
PNG
(4-[4-(1-piperidyl)-1H- pyrrolo[2,3-b]pyridin-3- yl...)
Show SMILES Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
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1.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VD72PZ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156790
PNG
(CHEMBL3792549)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3O/c19-17-4-2-1-3-15(17)16(10-20)18(23)22-14-6-5-13-11-21-8-7-12(13)9-14/h1-9,11,16H,10,20H2,(H,22,23)
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1.30n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156783
PNG
(CHEMBL3792734)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(O)c1
Show InChI InChI=1S/C18H17N3O2/c19-10-17(13-2-1-3-16(22)9-13)18(23)21-15-5-4-14-11-20-7-6-12(14)8-15/h1-9,11,17,22H,10,19H2,(H,21,23)
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1.30n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156777
PNG
(CHEMBL3793516)
Show SMILES COc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-24-17-6-3-13(4-7-17)18(11-20)19(23)22-16-5-2-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
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1.30n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM217092
PNG
(US9302989, 387)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C29H28N4O2/c34-28-26-6-2-1-5-25(26)27(16-30-28)21-9-11-24(12-10-21)31-29(35)33-18-22-8-7-20(15-23(22)19-33)17-32-13-3-4-14-32/h1-2,5-12,15-16H,3-4,13-14,17-19H2,(H,30,34)(H,31,35)
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1.39n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156797
PNG
(CHEMBL3793538)
Show SMILES NCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
Show InChI InChI=1S/C19H19N3O/c20-10-8-18(14-4-2-1-3-5-14)19(23)22-17-7-6-16-13-21-11-9-15(16)12-17/h1-7,9,11-13,18H,8,10,20H2,(H,22,23)
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1.5n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50148578
PNG
(CHEMBL3770730)
Show SMILES NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
Show InChI InChI=1S/C17H15N3O/c18-16(12-4-2-1-3-5-12)17(21)20-15-7-6-14-11-19-9-8-13(14)10-15/h1-11,16H,18H2,(H,20,21)
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1.5n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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1.60n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50156684
PNG
(CHEMBL3793688)
Show SMILES CCCCC(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C24H27N3O3/c1-2-3-4-23(28)30-16-17-5-7-18(8-6-17)22(14-25)24(29)27-21-10-9-20-15-26-12-11-19(20)13-21/h5-13,15,22H,2-4,14,16,25H2,1H3,(H,27,29)
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1.60n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156688
PNG
(CHEMBL3792969)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H23N3O3/c27-15-24(25(30)29-23-11-10-22-16-28-13-12-21(22)14-23)19-8-6-18(7-9-19)17-32-26(31)20-4-2-1-3-5-20/h1-14,16,24H,15,17,27H2,(H,29,30)
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1.70n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM217094
PNG
(US9302989, 389)
Show SMILES CN(C)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c1-30(2)15-18-7-8-20-16-31(17-21(20)13-18)27(33)29-22-11-9-19(10-12-22)25-14-28-26(32)24-6-4-3-5-23(24)25/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,33)
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1.74n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156734
PNG
(CHEMBL3793235)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-4-1-12(2-5-15)17(10-23)18(26)25-16-6-3-14-11-24-8-7-13(14)9-16/h1-9,11,17H,10,23H2,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156711
PNG
(CHEMBL3792599)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H23N3O3/c27-16-24(26(31)29-22-9-6-21-17-28-13-12-20(21)15-22)19-7-10-23(11-8-19)32-25(30)14-18-4-2-1-3-5-18/h1-13,15,17,24H,14,16,27H2,(H,29,31)
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1.80n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50546247
PNG
(AR-11324 FREE BASE | AR-13324 | Netarsudil | US114...)
Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r|
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2n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50156776
PNG
(CHEMBL3792593)
Show SMILES NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O2/c26-15-24(25(29)28-22-9-6-21-16-27-13-12-20(21)14-22)19-7-10-23(11-8-19)30-17-18-4-2-1-3-5-18/h1-14,16,24H,15,17,26H2,(H,28,29)
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2n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156778
PNG
(CHEMBL3793153)
Show SMILES COc1cccc(c1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-24-17-4-2-3-14(10-17)18(11-20)19(23)22-16-6-5-15-12-21-8-7-13(15)9-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
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2n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156792
PNG
(CHEMBL3792581)
Show SMILES NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O2/c19-13-3-1-11(2-4-13)16(10-20)18(24)22-14-5-6-15-12(9-14)7-8-21-17(15)23/h1-9,16H,10,20H2,(H,21,23)(H,22,24)
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2n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50601415
PNG
(AR-12286 | AR-12286 FREE BASE | Ar-12286 | VEROSUD...)
Show SMILES CN(C)C(C(=O)Nc1ccc2c(cc[nH]c2=O)c1)c1ccsc1
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01511
BindingDB Entry DOI: 10.7270/Q22Z19M2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM217103
PNG
(US9302989, 398)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCC3)cc2C1
Show InChI InChI=1S/C27H25N5O2/c33-26-24-5-2-1-4-23(24)25(29-30-26)19-8-10-22(11-9-19)28-27(34)32-16-20-7-6-18(14-21(20)17-32)15-31-12-3-13-31/h1-2,4-11,14H,3,12-13,15-17H2,(H,28,34)(H,30,33)
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2.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156796
PNG
(CHEMBL3792781)
Show SMILES NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c19-11-16(12-4-2-1-3-5-12)18(23)21-14-6-7-15-13(10-14)8-9-20-17(15)22/h1-10,16H,11,19H2,(H,20,22)(H,21,23)
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2.20n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM217085
PNG
(US9302989, 380)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C28H27N5O2/c34-27-25-6-2-1-5-24(25)26(30-31-27)20-9-11-23(12-10-20)29-28(35)33-17-21-8-7-19(15-22(21)18-33)16-32-13-3-4-14-32/h1-2,5-12,15H,3-4,13-14,16-18H2,(H,29,35)(H,31,34)
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2.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair
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