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PubMed code 21251828

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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2.51n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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34.7n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417668
PNG
(CHEMBL1643368)
Show SMILES Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H17N3O/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17)/t12-/m0/s1
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37.1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417851
PNG
(CHEMBL1667977)
Show SMILES N[C@H]1CCC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
Show InChI InChI=1S/C15H18N2O2/c16-11-2-1-3-12(9-11)19-13-4-5-14-10(8-13)6-7-17-15(14)18/h4-8,11-12H,1-3,9,16H2,(H,17,18)/t11-,12-/m0/s1
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n/an/a 31.6n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 38.9n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417853
PNG
(CHEMBL1667975)
Show SMILES Cc1cc2c(cc[nH]c2=O)cc1O[C@H]1CCCNC1 |r|
Show InChI InChI=1S/C15H18N2O2/c1-10-7-13-11(4-6-17-15(13)18)8-14(10)19-12-3-2-5-16-9-12/h4,6-8,12,16H,2-3,5,9H2,1H3,(H,17,18)/t12-/m0/s1
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n/an/a 47.9n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417847
PNG
(CHEMBL1667970)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNCC3)ccc12 |r|
Show InChI InChI=1S/C15H18N2O2/c18-15-14-4-3-13(10-11(14)5-9-17-15)19-12-2-1-7-16-8-6-12/h3-5,9-10,12,16H,1-2,6-8H2,(H,17,18)/t12-/m0/s1
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n/an/a 57.5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 61.7n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417858
PNG
(CHEMBL1667966)
Show SMILES C(N1CCC[C@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H22N2O/c1-2-5-17(6-3-1)15-23-12-4-7-21(16-23)24-20-9-8-19-14-22-11-10-18(19)13-20/h1-3,5-6,8-11,13-14,21H,4,7,12,15-16H2/t21-/m1/s1
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n/an/a 72.4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PRKX


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PrkX by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50417842
PNG
(CHEMBL1667965)
Show SMILES C(N1CCC[C@@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H22N2O/c1-2-5-17(6-3-1)15-23-12-4-7-21(16-23)24-20-9-8-19-14-22-11-10-18(19)13-20/h1-3,5-6,8-11,13-14,21H,4,7,12,15-16H2/t21-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417849
PNG
(CHEMBL1667979)
Show SMILES NC[C@@H]1CC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
Show InChI InChI=1S/C15H18N2O2/c16-9-10-1-2-12(7-10)19-13-3-4-14-11(8-13)5-6-17-15(14)18/h3-6,8,10,12H,1-2,7,9,16H2,(H,17,18)/t10-,12+/m1/s1
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n/an/a 81.3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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n/an/a 91.2n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417850
PNG
(CHEMBL1667978)
Show SMILES CCN[C@H]1CCC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-2-18-13-4-3-5-14(11-13)21-15-6-7-16-12(10-15)8-9-19-17(16)20/h6-10,13-14,18H,2-5,11H2,1H3,(H,19,20)/t13-,14-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417848
PNG
(CHEMBL1667980)
Show SMILES NC[C@H]1CC[C@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
Show InChI InChI=1S/C15H18N2O2/c16-9-10-1-2-12(7-10)19-13-3-4-14-11(8-13)5-6-17-15(14)18/h3-6,8,10,12H,1-2,7,9,16H2,(H,17,18)/t10-,12+/m0/s1
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n/an/a 166n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417842
PNG
(CHEMBL1667965)
Show SMILES C(N1CCC[C@@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H22N2O/c1-2-5-17(6-3-1)15-23-12-4-7-21(16-23)24-20-9-8-19-14-22-11-10-18(19)13-20/h1-3,5-6,8-11,13-14,21H,4,7,12,15-16H2/t21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417857
PNG
(CHEMBL1667969)
Show SMILES O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
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n/an/a 186n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417852
PNG
(CHEMBL1667976)
Show SMILES N[C@H]1CC[C@@H](C1)Oc1ccc2c(cc[nH]c2=O)c1 |r|
Show InChI InChI=1S/C14H16N2O2/c15-10-1-2-12(8-10)18-11-3-4-13-9(7-11)5-6-16-14(13)17/h3-7,10,12H,1-2,8,15H2,(H,16,17)/t10-,12-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 316n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417842
PNG
(CHEMBL1667965)
Show SMILES C(N1CCC[C@@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H22N2O/c1-2-5-17(6-3-1)15-23-12-4-7-21(16-23)24-20-9-8-19-14-22-11-10-18(19)13-20/h1-3,5-6,8-11,13-14,21H,4,7,12,15-16H2/t21-/m0/s1
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n/an/a 331n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417847
PNG
(CHEMBL1667970)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNCC3)ccc12 |r|
Show InChI InChI=1S/C15H18N2O2/c18-15-14-4-3-13(10-11(14)5-9-17-15)19-12-2-1-7-16-8-6-12/h3-5,9-10,12,16H,1-2,6-8H2,(H,17,18)/t12-/m0/s1
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n/an/a 331n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PKCeta by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PKCmu by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417856
PNG
(CHEMBL1667972)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCNC3)ccc12 |r|
Show InChI InChI=1S/C13H14N2O2/c16-13-12-2-1-10(7-9(12)3-6-15-13)17-11-4-5-14-8-11/h1-3,6-7,11,14H,4-5,8H2,(H,15,16)/t11-/m0/s1
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n/an/a 525n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 575n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417854
PNG
(CHEMBL1667974)
Show SMILES Cc1c[nH]c(=O)c2ccc(O[C@H]3CCCNC3)cc12 |r|
Show InChI InChI=1S/C15H18N2O2/c1-10-8-17-15(18)13-5-4-11(7-14(10)13)19-12-3-2-6-16-9-12/h4-5,7-8,12,16H,2-3,6,9H2,1H3,(H,17,18)/t12-/m0/s1
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n/an/a 589n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
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n/an/a 661n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417846
PNG
(CHEMBL1667968)
Show SMILES O=c1[nH]ccc2cc(O[C@@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m1/s1
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n/an/a 676n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 759n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417667
PNG
(CHEMBL1643574)
Show SMILES Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Show InChI InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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n/an/a 776n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417855
PNG
(CHEMBL1667973)
Show SMILES O=c1[nH]ccc2cc(O[C@@H]3CCNC3)ccc12 |r|
Show InChI InChI=1S/C13H14N2O2/c16-13-12-2-1-10(7-9(12)3-6-15-13)17-11-4-5-14-8-11/h1-3,6-7,11,14H,4-5,8H2,(H,15,16)/t11-/m1/s1
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n/an/a 871n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50417668
PNG
(CHEMBL1643368)
Show SMILES Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H17N3O/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17)/t12-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417845
PNG
(CHEMBL1667964)
Show SMILES C1CNCC(C1)Oc1ccc2cnccc2c1
Show InChI InChI=1S/C14H16N2O/c1-2-14(10-15-6-1)17-13-4-3-12-9-16-7-5-11(12)8-13/h3-5,7-9,14-15H,1-2,6,10H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417668
PNG
(CHEMBL1643368)
Show SMILES Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H17N3O/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17)/t12-/m0/s1
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n/an/a 2.14E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 3.16E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417668
PNG
(CHEMBL1643368)
Show SMILES Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Show InChI InChI=1S/C14H17N3O/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17)/t12-/m0/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PRKX


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 6.31E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PrkX by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 6.92E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PKCmu by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PKCeta by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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n/an/a 2.51E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta by RFBA assay


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%