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Compile Data Set for Download or QSAR

Found 473 hits Enz. Inhib. hit(s) with all data for entry = 50008482   
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))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519707
PNG
(CHEMBL4451007)
Show SMILES CC(C)(C)c1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H23N3O6/c1-25(2,3)22-13-19(28-34-22)24(31)27-16-6-4-5-15(11-16)26-23(30)14-33-17-7-8-18-20(29)9-10-32-21(18)12-17/h4-13H,14H2,1-3H3,(H,26,30)(H,27,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519689
PNG
(CHEMBL4562184)
Show SMILES Cc1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C22H17N3O6/c1-13-9-18(25-31-13)22(28)24-15-4-2-3-14(10-15)23-21(27)12-30-16-5-6-17-19(26)7-8-29-20(17)11-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519685
PNG
(CHEMBL4446390)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H20N2O6/c1-31-19-7-5-16(6-8-19)25(30)27-18-4-2-3-17(13-18)26-24(29)15-33-20-9-10-21-22(28)11-12-32-23(21)14-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519704
PNG
(CHEMBL4476505)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H22N2O6/c1-2-32-20-8-6-17(7-9-20)26(31)28-19-5-3-4-18(14-19)27-25(30)16-34-21-10-11-22-23(29)12-13-33-24(22)15-21/h3-15H,2,16H2,1H3,(H,27,30)(H,28,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519688
PNG
(CHEMBL4445974)
Show SMILES FC(F)(F)c1ncc(s1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C22H14F3N3O5S/c23-22(24,25)21-26-10-18(34-21)20(31)28-13-3-1-2-12(8-13)27-19(30)11-33-14-4-5-15-16(29)6-7-32-17(15)9-14/h1-10H,11H2,(H,27,30)(H,28,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519683
PNG
(CHEMBL4576394)
Show SMILES CCCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C27H24N2O5/c1-2-4-18-7-9-19(10-8-18)27(32)29-21-6-3-5-20(15-21)28-26(31)17-34-22-11-12-23-24(30)13-14-33-25(23)16-22/h3,5-16H,2,4,17H2,1H3,(H,28,31)(H,29,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519686
PNG
(CHEMBL4467403)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H17N3O7/c28-21-10-11-33-22-13-19(8-9-20(21)22)34-14-23(29)25-16-2-1-3-17(12-16)26-24(30)15-4-6-18(7-5-15)27(31)32/h1-13H,14H2,(H,25,29)(H,26,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519684
PNG
(CHEMBL4453948)
Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C25H17N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,15H2,(H,27,30)(H,28,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519712
PNG
(CHEMBL4586795)
Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H18N2O5/c27-21-11-12-30-22-14-19(9-10-20(21)22)31-15-23(28)25-17-7-4-8-18(13-17)26-24(29)16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,26,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519704
PNG
(CHEMBL4476505)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H22N2O6/c1-2-32-20-8-6-17(7-9-20)26(31)28-19-5-3-4-18(14-19)27-25(30)16-34-21-10-11-22-23(29)12-13-33-24(22)15-21/h3-15H,2,16H2,1H3,(H,27,30)(H,28,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519685
PNG
(CHEMBL4446390)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H20N2O6/c1-31-19-7-5-16(6-8-19)25(30)27-18-4-2-3-17(13-18)26-24(29)15-33-20-9-10-21-22(28)11-12-32-23(21)14-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519681
PNG
(CHEMBL4459655)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H20N2O5/c1-16-5-7-17(8-6-16)25(30)27-19-4-2-3-18(13-19)26-24(29)15-32-20-9-10-21-22(28)11-12-31-23(21)14-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519696
PNG
(CHEMBL4457201)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H22FN3O5/c1-30(2)20-5-3-16(4-6-20)26(33)29-19-12-17(27)11-18(13-19)28-25(32)15-35-21-7-8-22-23(31)9-10-34-24(22)14-21/h3-14H,15H2,1-2H3,(H,28,32)(H,29,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519682
PNG
(CHEMBL4458667)
Show SMILES CCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H22N2O5/c1-2-17-6-8-18(9-7-17)26(31)28-20-5-3-4-19(14-20)27-25(30)16-33-21-10-11-22-23(29)12-13-32-24(22)15-21/h3-15H,2,16H2,1H3,(H,27,30)(H,28,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519699
PNG
(CHEMBL4455163)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NS(=O)(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H23N3O6S/c1-28(2)20-8-6-17(7-9-20)25(30)26-18-4-3-5-19(14-18)27-35(31,32)16-34-21-10-11-22-23(29)12-13-33-24(22)15-21/h3-15,27H,16H2,1-2H3,(H,26,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519705
PNG
(CHEMBL4533805)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H20N2O7/c1-33-26(32)17-7-5-16(6-8-17)25(31)28-19-4-2-3-18(13-19)27-24(30)15-35-20-9-10-21-22(29)11-12-34-23(21)14-20/h2-14H,15H2,1H3,(H,27,30)(H,28,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519671
PNG
(CHEMBL4470778)
Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C22H17N3O5S/c1-13-23-18(12-31-13)22(28)25-15-4-2-3-14(9-15)24-21(27)11-30-16-5-6-17-19(26)7-8-29-20(17)10-16/h2-10,12H,11H2,1H3,(H,24,27)(H,25,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519715
PNG
(CHEMBL4556104)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C28H26N2O5/c1-28(2,3)19-9-7-18(8-10-19)27(33)30-21-6-4-5-20(15-21)29-26(32)17-35-22-11-12-23-24(31)13-14-34-25(23)16-22/h4-16H,17H2,1-3H3,(H,29,32)(H,30,33)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519706
PNG
(CHEMBL4437283)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H17N3O7/c28-21-9-10-33-22-13-19(7-8-20(21)22)34-14-23(29)25-16-4-2-5-17(12-16)26-24(30)15-3-1-6-18(11-15)27(31)32/h1-13H,14H2,(H,25,29)(H,26,30)
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519687
PNG
(CHEMBL4519471)
Show SMILES Cc1cc(ccc1C(F)(F)F)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H19F3N2O5/c1-15-11-16(5-8-21(15)26(27,28)29)25(34)31-18-4-2-3-17(12-18)30-24(33)14-36-19-6-7-20-22(32)9-10-35-23(20)13-19/h2-13H,14H2,1H3,(H,30,33)(H,31,34)
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human LIMK2 in presence of 10 uM of ATP by radiometric analysis


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519696
PNG
(CHEMBL4457201)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H22FN3O5/c1-30(2)20-5-3-16(4-6-20)26(33)29-19-12-17(27)11-18(13-19)28-25(32)15-35-21-7-8-22-23(31)9-10-34-24(22)14-21/h3-14H,15H2,1-2H3,(H,28,32)(H,29,33)
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519670
PNG
(CHEMBL4451407)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H17BrN2O5/c25-16-6-4-15(5-7-16)24(30)27-18-3-1-2-17(12-18)26-23(29)14-32-19-8-9-20-21(28)10-11-31-22(20)13-19/h1-13H,14H2,(H,26,29)(H,27,30)
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519703
PNG
(CHEMBL4586827)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H17FN2O5/c25-16-6-4-15(5-7-16)24(30)27-18-3-1-2-17(12-18)26-23(29)14-32-19-8-9-20-21(28)10-11-31-22(20)13-19/h1-13H,14H2,(H,26,29)(H,27,30)
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519716
PNG
(CHEMBL4440876)
Show SMILES Nc1cccc(c1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H19N3O5/c25-16-4-1-3-15(11-16)24(30)27-18-6-2-5-17(12-18)26-23(29)14-32-19-7-8-20-21(28)9-10-31-22(20)13-19/h1-13H,14,25H2,(H,26,29)(H,27,30)
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519690
PNG
(CHEMBL4472964)
Show SMILES NCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H21N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,14-15,26H2,(H,27,30)(H,28,31)
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n/an/a 66n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519686
PNG
(CHEMBL4467403)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H17N3O7/c28-21-10-11-33-22-13-19(8-9-20(21)22)34-14-23(29)25-16-2-1-3-17(12-16)26-24(30)15-4-6-18(7-5-15)27(31)32/h1-13H,14H2,(H,25,29)(H,26,30)
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519689
PNG
(CHEMBL4562184)
Show SMILES Cc1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C22H17N3O6/c1-13-9-18(25-31-13)22(28)24-15-4-2-3-14(10-15)23-21(27)12-30-16-5-6-17-19(26)7-8-29-20(17)11-16/h2-11H,12H2,1H3,(H,23,27)(H,24,28)
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519705
PNG
(CHEMBL4533805)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H20N2O7/c1-33-26(32)17-7-5-16(6-8-17)25(31)28-19-4-2-3-18(13-19)27-24(30)15-35-20-9-10-21-22(29)11-12-34-23(21)14-20/h2-14H,15H2,1H3,(H,27,30)(H,28,31)
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n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519668
PNG
(CHEMBL4555946)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H17F3N2O6/c26-25(27,28)36-18-6-4-15(5-7-18)24(33)30-17-3-1-2-16(12-17)29-23(32)14-35-19-8-9-20-21(31)10-11-34-22(20)13-19/h1-13H,14H2,(H,29,32)(H,30,33)
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519665
PNG
(CHEMBL4475912)
Show SMILES Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H19N3O5/c25-16-6-4-15(5-7-16)24(30)27-18-3-1-2-17(12-18)26-23(29)14-32-19-8-9-20-21(28)10-11-31-22(20)13-19/h1-13H,14,25H2,(H,26,29)(H,27,30)
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n/an/a 83n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519679
PNG
(CHEMBL4558371)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3C(=O)CCOc3c2)c1
Show InChI InChI=1S/C26H25N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 85n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519700
PNG
(CHEMBL4447770)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C25H24FN3O4/c1-16(30)22-12-11-21(14-23(22)26)33-15-24(31)27-18-5-4-6-19(13-18)28-25(32)17-7-9-20(10-8-17)29(2)3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)
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n/an/a 98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519707
PNG
(CHEMBL4451007)
Show SMILES CC(C)(C)c1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H23N3O6/c1-25(2,3)22-13-19(28-34-22)24(31)27-16-6-4-5-15(11-16)26-23(30)14-33-17-7-8-18-20(29)9-10-32-21(18)12-17/h4-13H,14H2,1-3H3,(H,26,30)(H,27,31)
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n/an/a 101n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519699
PNG
(CHEMBL4455163)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NS(=O)(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H23N3O6S/c1-28(2)20-8-6-17(7-9-20)25(30)26-18-4-3-5-19(14-18)27-35(31,32)16-34-21-10-11-22-23(29)12-13-33-24(22)15-21/h3-15,27H,16H2,1-2H3,(H,26,30)
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n/an/a 117n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519712
PNG
(CHEMBL4586795)
Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H18N2O5/c27-21-11-12-30-22-14-19(9-10-20(21)22)31-15-23(28)25-17-7-4-8-18(13-17)26-24(29)16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,26,29)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519684
PNG
(CHEMBL4453948)
Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C25H17N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,15H2,(H,27,30)(H,28,31)
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n/an/a 123n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519703
PNG
(CHEMBL4586827)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H17FN2O5/c25-16-6-4-15(5-7-16)24(30)27-18-3-1-2-17(12-18)26-23(29)14-32-19-8-9-20-21(28)10-11-31-22(20)13-19/h1-13H,14H2,(H,26,29)(H,27,30)
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n/an/a 129n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519702
PNG
(CHEMBL4473009)
Show SMILES CC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C19H16N2O5/c1-12(22)20-13-3-2-4-14(9-13)21-19(24)11-26-15-5-6-16-17(23)7-8-25-18(16)10-15/h2-10H,11H2,1H3,(H,20,22)(H,21,24)
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n/an/a 136n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519683
PNG
(CHEMBL4576394)
Show SMILES CCCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C27H24N2O5/c1-2-4-18-7-9-19(10-8-18)27(32)29-21-6-3-5-20(15-21)28-26(31)17-34-22-11-12-23-24(30)13-14-33-25(23)16-22/h3,5-16H,2,4,17H2,1H3,(H,28,31)(H,29,32)
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n/an/a 143n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519679
PNG
(CHEMBL4558371)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3C(=O)CCOc3c2)c1
Show InChI InChI=1S/C26H25N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 144n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519688
PNG
(CHEMBL4445974)
Show SMILES FC(F)(F)c1ncc(s1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C22H14F3N3O5S/c23-22(24,25)21-26-10-18(34-21)20(31)28-13-3-1-2-12(8-13)27-19(30)11-33-14-4-5-15-16(29)6-7-32-17(15)9-14/h1-10H,11H2,(H,27,30)(H,28,31)
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519715
PNG
(CHEMBL4556104)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C28H26N2O5/c1-28(2,3)19-9-7-18(8-10-19)27(33)30-21-6-4-5-20(15-21)29-26(32)17-35-22-11-12-23-24(31)13-14-34-25(23)16-22/h4-16H,17H2,1-3H3,(H,29,32)(H,30,33)
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n/an/a 165n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519693
PNG
(CHEMBL4551100)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)ccc1C
Show InChI InChI=1S/C27H25N3O5/c1-17-4-7-19(14-23(17)29-27(33)18-5-8-20(9-6-18)30(2)3)28-26(32)16-35-21-10-11-22-24(31)12-13-34-25(22)15-21/h4-15H,16H2,1-3H3,(H,28,32)(H,29,33)
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n/an/a 169n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519667
PNG
(CHEMBL4452457)
Show SMILES CCCC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C21H20N2O5/c1-2-4-20(25)22-14-5-3-6-15(11-14)23-21(26)13-28-16-7-8-17-18(24)9-10-27-19(17)12-16/h3,5-12H,2,4,13H2,1H3,(H,22,25)(H,23,26)
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n/an/a 176n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519681
PNG
(CHEMBL4459655)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H20N2O5/c1-16-5-7-17(8-6-16)25(30)27-19-4-2-3-18(13-19)26-24(29)15-32-20-9-10-21-22(28)11-12-31-23(21)14-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30)
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n/an/a 183n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50519682
PNG
(CHEMBL4458667)
Show SMILES CCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H22N2O5/c1-2-17-6-8-18(9-7-17)26(31)28-20-5-3-4-19(14-20)27-25(30)16-33-21-10-11-22-23(29)12-13-32-24(22)15-21/h3-15H,2,16H2,1H3,(H,27,30)(H,28,31)
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n/an/a 235n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50519692
PNG
(CHEMBL4474271)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C25H23N3O6S/c1-28(2)19-6-9-21(10-7-19)35(31,32)27-18-5-3-4-17(14-18)26-25(30)16-34-20-8-11-22-23(29)12-13-33-24(22)15-20/h3-15,27H,16H2,1-2H3,(H,26,30)
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n/an/a 263n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
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