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PubMed code 20462760

Compile data set for download or QSAR
Found 70 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 2


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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n/an/a 39n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319658
PNG
((S)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-14-10-13-12(6-7-21-17(13)23)9-16(14)22-18(24)15(20)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8,20H2,(H,21,23)(H,22,24)/t15-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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n/an/a 53n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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n/an/a 57n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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n/an/a 59n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase N2


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319630
PNG
((R)-2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinol...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-14-10-13-12(6-7-21-17(13)23)9-16(14)22-18(24)15(20)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8,20H2,(H,21,23)(H,22,24)/t15-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319657
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CC(NCc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C19H18ClN3O2/c1-12(22-11-13-5-3-2-4-6-13)18(24)23-17-9-14-7-8-21-19(25)15(14)10-16(17)20/h2-10,12,22H,11H2,1H3,(H,21,25)(H,23,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319654
PNG
(CHEMBL1085139 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CCc1ccccc1
Show InChI InChI=1S/C18H15ClN2O2/c19-15-11-14-13(8-9-20-18(14)23)10-16(15)21-17(22)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,23)(H,21,22)
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n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 335n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319649
PNG
(CHEMBL1084052 | benzyl 1-oxo-1,2-dihydroisoquinoli...)
Show SMILES O=C(Nc1ccc2c(cc[nH]c2=O)c1)OCc1ccccc1
Show InChI InChI=1S/C17H14N2O3/c20-16-15-7-6-14(10-13(15)8-9-18-16)19-17(21)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,20)(H,19,21)
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n/an/a 360n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 400n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319655
PNG
(CHEMBL1085140 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CC1CCCCC1
Show InChI InChI=1S/C17H19ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H,19,22)(H,20,21)
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n/an/a 430n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319650
PNG
(1-benzyl-3-(1-oxo-1,2-dihydroisoquinolin-6-yl)urea...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2c(cc[nH]c2=O)c1
Show InChI InChI=1S/C17H15N3O2/c21-16-15-7-6-14(10-13(15)8-9-18-16)20-17(22)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,21)(H2,19,20,22)
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n/an/a 520n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 660n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase N2


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 780n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319652
PNG
(CHEMBL1085137 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C11H9ClN2O2/c1-6(15)14-10-4-7-2-3-13-11(16)8(7)5-9(10)12/h2-5H,1H3,(H,13,16)(H,14,15)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319639
PNG
(CHEMBL1086517 | N-(1-oxo-1,2-dihydroisoquinolin-6-...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2c(cc[nH]c2=O)c1
Show InChI InChI=1S/C17H14N2O2/c20-16(10-12-4-2-1-3-5-12)19-14-6-7-15-13(11-14)8-9-18-17(15)21/h1-9,11H,10H2,(H,18,21)(H,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319638
PNG
(CHEMBL1086297 | N-(4-oxo-3,4-dihydroquinazolin-7-y...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2c(c1)nc[nH]c2=O
Show InChI InChI=1S/C16H13N3O2/c20-15(8-11-4-2-1-3-5-11)19-12-6-7-13-14(9-12)17-10-18-16(13)21/h1-7,9-10H,8H2,(H,19,20)(H,17,18,21)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319656
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20ClN3O2/c25-20-14-19-18(11-12-26-23(19)29)13-21(20)28-24(30)22(17-9-5-2-6-10-17)27-15-16-7-3-1-4-8-16/h1-14,22,27H,15H2,(H,26,29)(H,28,30)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319635
PNG
(CHEMBL1084106 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319633
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c18-13-9-12-11(6-7-20-16(12)22)8-14(13)21-17(23)15(19)10-4-2-1-3-5-10/h1-9,15H,19H2,(H,20,22)(H,21,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319637
PNG
(2-(benzylamino)-N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-9-14-13(6-7-21-18(14)24)8-16(15)22-17(23)11-20-10-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,21,24)(H,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319636
PNG
(CHEMBL1084107 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C19H18ClN3O2/c1-23(2)17(12-6-4-3-5-7-12)19(25)22-16-10-13-8-9-21-18(24)14(13)11-15(16)20/h3-11,17H,1-2H3,(H,21,24)(H,22,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319642
PNG
(CHEMBL1085344 | N-(1H-benzo[d][1,2,3]triazol-5-yl)...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2nn[nH]c2c1
Show InChI InChI=1S/C14H12N4O/c19-14(8-10-4-2-1-3-5-10)15-11-6-7-12-13(9-11)17-18-16-12/h1-7,9H,8H2,(H,15,19)(H,16,17,18)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319643
PNG
(CHEMBL1085345 | N-(4-oxo-3,4-dihydroquinazolin-8-y...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc2c1nc[nH]c2=O
Show InChI InChI=1S/C16H13N3O2/c20-14(9-11-5-2-1-3-6-11)19-13-8-4-7-12-15(13)17-10-18-16(12)21/h1-8,10H,9H2,(H,19,20)(H,17,18,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319648
PNG
(CHEMBL1083275 | N-(1-oxo-1,2-dihydroisoquinolin-8-...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc2cc[nH]c(=O)c12
Show InChI InChI=1S/C17H14N2O2/c20-15(11-12-5-2-1-3-6-12)19-14-8-4-7-13-9-10-18-17(21)16(13)14/h1-10H,11H2,(H,18,21)(H,19,20)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319653
PNG
(CHEMBL1085138 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)c1ccccc1
Show InChI InChI=1S/C16H11ClN2O2/c17-13-9-12-11(6-7-18-16(12)21)8-14(13)19-15(20)10-4-2-1-3-5-10/h1-9H,(H,18,21)(H,19,20)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319641
PNG
(CHEMBL1085343 | N-(1,3-dioxoisoindolin-5-yl)-2-phe...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2C(=O)NC(=O)c2c1
Show InChI InChI=1S/C16H12N2O3/c19-14(8-10-4-2-1-3-5-10)17-11-6-7-12-13(9-11)16(21)18-15(12)20/h1-7,9H,8H2,(H,17,19)(H,18,20,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319645
PNG
(CHEMBL1084844 | N-(4-oxo-3,4-dihydroquinazolin-5-y...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc2nc[nH]c(=O)c12
Show InChI InChI=1S/C16H13N3O2/c20-14(9-11-5-2-1-3-6-11)19-13-8-4-7-12-15(13)16(21)18-10-17-12/h1-8,10H,9H2,(H,19,20)(H,17,18,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319651
PNG
(CHEMBL1083116 | N-(1-oxo-1,2-dihydroisoquinolin-6-...)
Show SMILES O=c1[nH]ccc2cc(NS(=O)(=O)Cc3ccccc3)ccc12
Show InChI InChI=1S/C16H14N2O3S/c19-16-15-7-6-14(10-13(15)8-9-17-16)18-22(20,21)11-12-4-2-1-3-5-12/h1-10,18H,11H2,(H,17,19)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319646
PNG
(CHEMBL1084845 | N-(1-oxo-1,2-dihydroisoquinolin-5-...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C17H14N2O2/c20-16(11-12-5-2-1-3-6-12)19-15-8-4-7-14-13(15)9-10-18-17(14)21/h1-10H,11H2,(H,18,21)(H,19,20)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319644
PNG
(CHEMBL1085346 | N-(4-oxo-3,4-dihydroquinazolin-6-y...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C16H13N3O2/c20-15(8-11-4-2-1-3-5-11)19-12-6-7-14-13(9-12)16(21)18-10-17-14/h1-7,9-10H,8H2,(H,19,20)(H,17,18,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319647
PNG
(CHEMBL1084846 | N-(1-oxo-1,2-dihydroisoquinolin-7-...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1S/C17H14N2O2/c20-16(10-12-4-2-1-3-5-12)19-14-7-6-13-8-9-18-17(21)15(13)11-14/h1-9,11H,10H2,(H,18,21)(H,19,20)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319640
PNG
(CHEMBL1083117 | N-(1-oxo-1,2,3,4-tetrahydrophthala...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2C(=O)NNCc2c1
Show InChI InChI=1S/C16H15N3O2/c20-15(8-11-4-2-1-3-5-11)18-13-6-7-14-12(9-13)10-17-19-16(14)21/h1-7,9,17H,8,10H2,(H,18,20)(H,19,21)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%