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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'tagami' and Initial = 'y'   
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 1/2


(Homo sapiens (Human))
BDBM50196700
PNG
(5-((3-(3-(prop-1-en-2-yl)benzyl)cyclohexyl)methyl)...)
Show SMILES [O-][N+](=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C19H21N5O2/c25-24(26)18-5-1-3-14(9-18)12-23-8-2-4-17(13-23)21-16-6-7-19-15(10-16)11-20-22-19/h1,3,5-7,9-11,17,21H,2,4,8,12-13H2,(H,20,22)
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n/an/a 3n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196694
PNG
(CHEMBL225166 | N-(1-(thiophen-3-ylmethyl)piperidin...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccsc1
Show InChI InChI=1S/C17H20N4S/c1-2-16(11-21(6-1)10-13-5-7-22-12-13)19-15-3-4-17-14(8-15)9-18-20-17/h3-5,7-9,12,16,19H,1-2,6,10-11H2,(H,18,20)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196718
PNG
(CHEMBL373512 | N-(1-(thiophen-2-ylmethyl)piperidin...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccs1
Show InChI InChI=1S/C17H20N4S/c1-3-15(11-21(7-1)12-16-4-2-8-22-16)19-14-5-6-17-13(9-14)10-18-20-17/h2,4-6,8-10,15,19H,1,3,7,11-12H2,(H,18,20)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196692
PNG
(CHEMBL388516 | N-(1-(4-methylbenzyl)piperidin-3-yl...)
Show SMILES Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H24N4/c1-15-4-6-16(7-5-15)13-24-10-2-3-19(14-24)22-18-8-9-20-17(11-18)12-21-23-20/h4-9,11-12,19,22H,2-3,10,13-14H2,1H3,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196711
PNG
(1-benzyl-3-piperidyl-(1H-5-indazolyl)ether | 5-(1-...)
Show SMILES C(N1CCCC(C1)Oc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-2-5-15(6-3-1)13-22-10-4-7-18(14-22)23-17-8-9-19-16(11-17)12-20-21-19/h1-3,5-6,8-9,11-12,18H,4,7,10,13-14H2,(H,20,21)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196690
PNG
(CHEMBL224535 | N-(1-(4-aminobenzyl)piperidin-3-yl)...)
Show SMILES Nc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H23N5/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13,20H2,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196695
PNG
(CHEMBL224510 | N-(1-(3,4-difluorobenzyl)piperidin-...)
Show SMILES Fc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C19H20F2N4/c20-17-5-3-13(8-18(17)21)11-25-7-1-2-16(12-25)23-15-4-6-19-14(9-15)10-22-24-19/h3-6,8-10,16,23H,1-2,7,11-12H2,(H,22,24)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196689
PNG
(CHEMBL224166 | N-(1-((1H-pyrrol-2-yl)methyl)piperi...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc[nH]1
Show InChI InChI=1S/C17H21N5/c1-3-15(18-7-1)11-22-8-2-4-16(12-22)20-14-5-6-17-13(9-14)10-19-21-17/h1,3,5-7,9-10,16,18,20H,2,4,8,11-12H2,(H,19,21)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196682
PNG
(CHEMBL426925 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196707
PNG
(CHEMBL390837 | N-(1-(2-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H21ClN4/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196712
PNG
(CHEMBL225637 | N-(1-(4-methoxybenzyl)piperidin-3-y...)
Show SMILES COc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H24N4O/c1-25-19-7-4-15(5-8-19)13-24-10-2-3-18(14-24)22-17-6-9-20-16(11-17)12-21-23-20/h4-9,11-12,18,22H,2-3,10,13-14H2,1H3,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196704
PNG
(1-benzyl-N-(1H-5-indazolyl)piperidine-3-carboxamid...)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C20H22N4O/c25-20(22-18-8-9-19-17(11-18)12-21-23-19)16-7-4-10-24(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13-14H2,(H,21,23)(H,22,25)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196728
PNG
(CHEMBL389168 | N-(1-(3-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C19H21ClN4/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13H2,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196687
PNG
(1-(2,6-dichlorobenzyl)-3-(1H-indazol-5-yl)urea | 1...)
Show SMILES Clc1cccc(Cl)c1CNC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H12Cl2N4O/c16-12-2-1-3-13(17)11(12)8-18-15(22)20-10-4-5-14-9(6-10)7-19-21-14/h1-7H,8H2,(H,19,21)(H2,18,20,22)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196725
PNG
(CHEMBL224885 | N-(1-benzyl-3-piperidyl)-N-(1H-5-in...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C19H22N4/c1-2-5-15(6-3-1)13-23-10-4-7-18(14-23)21-17-8-9-19-16(11-17)12-20-22-19/h1-3,5-6,8-9,11-12,18,21H,4,7,10,13-14H2,(H,20,22)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196725
PNG
(CHEMBL224885 | N-(1-benzyl-3-piperidyl)-N-(1H-5-in...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C19H22N4/c1-2-5-15(6-3-1)13-23-10-4-7-18(14-23)21-17-8-9-19-16(11-17)12-20-22-19/h1-3,5-6,8-9,11-12,18,21H,4,7,10,13-14H2,(H,20,22)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196698
PNG
(CHEMBL390389 | N-(1-(3-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1cccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-1-2-13(8-15)11-23-7-6-17(12-23)21-16-4-5-18-14(9-16)10-20-22-18/h1-5,8-10,17,21H,6-7,11-12H2,(H,20,22)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196686
PNG
(CHEMBL427245 | N-(1-(4-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-1-13(2-4-15)11-23-8-7-17(12-23)21-16-5-6-18-14(9-16)10-20-22-18/h1-6,9-10,17,21H,7-8,11-12H2,(H,20,22)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196688
PNG
(CHEMBL224509 | N-(1-(4-fluorobenzyl)piperidin-3-yl...)
Show SMILES Fc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H21FN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197913
PNG
((3R)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)
Show SMILES Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14,21H2/t18-/m1/s1
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196708
PNG
(CHEMBL386937 | N-(1-benzyl-3-pyrrolidyl)-N-(1H-5-i...)
Show SMILES C(N1CCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C18H20N4/c1-2-4-14(5-3-1)12-22-9-8-17(13-22)20-16-6-7-18-15(10-16)11-19-21-18/h1-7,10-11,17,20H,8-9,12-13H2,(H,19,21)
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n/an/a 32n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196699
PNG
(CHEMBL390736 | N-(1-(3-aminobenzyl)piperidin-3-yl)...)
Show SMILES Nc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C19H23N5/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13,20H2,(H,21,23)
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n/an/a 35n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196679
PNG
(CHEMBL388742 | N-(1-(2-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccccc1CN1CCC(C1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H19ClN4/c19-17-4-2-1-3-13(17)11-23-8-7-16(12-23)21-15-5-6-18-14(9-15)10-20-22-18/h1-6,9-10,16,21H,7-8,11-12H2,(H,20,22)
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n/an/a 45n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197914
PNG
(CHEMBL375556 | N-(1-(4-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20ClN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
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n/an/a 65n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196706
PNG
(CHEMBL225167 | N-(1-(furan-2-ylmethyl)piperidin-3-...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccco1
Show InChI InChI=1S/C17H20N4O/c1-3-15(11-21(7-1)12-16-4-2-8-22-16)19-14-5-6-17-13(9-14)10-18-20-17/h2,4-6,8-10,15,19H,1,3,7,11-12H2,(H,18,20)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197915
PNG
(CHEMBL223815 | N-(1-(3-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2
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n/an/a 65n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197922
PNG
(CHEMBL224361 | N1-cyclopropyl-N4-(5-isoquinolyl)-1...)
Show SMILES C1CC1N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.11,wD:4.4,(33.09,-14.61,;34.63,-14.61,;33.86,-13.28,;33.85,-11.74,;32.52,-10.97,;32.52,-9.43,;31.18,-8.65,;29.85,-9.44,;29.85,-10.98,;31.18,-11.74,;28.51,-8.67,;27.18,-9.45,;27.19,-11,;25.85,-11.77,;24.51,-11,;24.52,-9.46,;23.19,-8.7,;23.18,-7.17,;24.51,-6.39,;25.84,-7.16,;25.84,-8.69,)|
Show InChI InChI=1S/C18H23N3/c1-2-13-12-19-11-10-17(13)18(3-1)21-16-8-6-15(7-9-16)20-14-4-5-14/h1-3,10-12,14-16,20-21H,4-9H2/t15-,16-
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n/an/a 70n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196683
PNG
(CHEMBL224746 | N-(1-(pyridin-3-ylmethyl)piperidin-...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccnc1
Show InChI InChI=1S/C18H21N5/c1-3-14(10-19-7-1)12-23-8-2-4-17(13-23)21-16-5-6-18-15(9-16)11-20-22-18/h1,3,5-7,9-11,17,21H,2,4,8,12-13H2,(H,20,22)
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n/an/a 72n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197907
PNG
(CHEMBL387954 | N-(1-(2,6-difluorobenzyl)pyrrolidin...)
Show SMILES Fc1cccc(F)c1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H19F2N3/c21-18-4-2-5-19(22)17(18)13-25-10-8-15(12-25)24-20-6-1-3-14-11-23-9-7-16(14)20/h1-7,9,11,15,24H,8,10,12-13H2
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n/an/a 75n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196685
PNG
(CHEMBL389622 | N-(1-(3,5-dimethoxybenzyl)piperidin...)
Show SMILES COc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc(OC)c1
Show InChI InChI=1S/C21H26N4O2/c1-26-19-8-15(9-20(11-19)27-2)13-25-7-3-4-18(14-25)23-17-5-6-21-16(10-17)12-22-24-21/h5-6,8-12,18,23H,3-4,7,13-14H2,1-2H3,(H,22,24)
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n/an/a 80n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196702
PNG
(CHEMBL427254 | N-(1-(2-aminobenzyl)piperidin-3-yl)...)
Show SMILES Nc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H23N5/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13,20H2,(H,21,23)
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n/an/a 85n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196681
PNG
(1-(2,6-difluorobenzyl)-3-(1H-indazol-5-yl)urea | C...)
Show SMILES Fc1cccc(F)c1CNC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H12F2N4O/c16-12-2-1-3-13(17)11(12)8-18-15(22)20-10-4-5-14-9(6-10)7-19-21-14/h1-7H,8H2,(H,19,21)(H2,18,20,22)
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n/an/a 85n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196691
PNG
(CHEMBL389915 | N-(1-(4-nitrobenzyl)piperidin-3-yl)...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H21N5O2/c25-24(26)18-6-3-14(4-7-18)12-23-9-1-2-17(13-23)21-16-5-8-19-15(10-16)11-20-22-19/h3-8,10-11,17,21H,1-2,9,12-13H2,(H,20,22)
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n/an/a 87n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197900
PNG
(CHEMBL223336 | N-(1-(4-fluorobenzyl)pyrrolidin-3-y...)
Show SMILES Fc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20FN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
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n/an/a 95n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197901
PNG
(CHEMBL389926 | N-(1-(2-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H20ClN3/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14H2
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n/an/a 100n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196696
PNG
(1-benzyl-4-piperidyl-(1H-5-indazolyl)ether | 5-(1-...)
Show SMILES C(N1CCC(CC1)Oc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-2-4-15(5-3-1)14-22-10-8-17(9-11-22)23-18-6-7-19-16(12-18)13-20-21-19/h1-7,12-13,17H,8-11,14H2,(H,20,21)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196684
PNG
(1-benzyl-N-(1H-5-indazolyl)piperidine-4-carboxamid...)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N4O/c25-20(22-18-6-7-19-17(12-18)13-21-23-19)16-8-10-24(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,21,23)(H,22,25)
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n/an/a 136n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197919
PNG
(CHEMBL224505 | N-(1-benzyl-4-piperidyl)-N-(5-isoqu...)
Show SMILES C(N1CCC(CC1)Nc1cccc2cnccc12)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-2-5-17(6-3-1)16-24-13-10-19(11-14-24)23-21-8-4-7-18-15-22-12-9-20(18)21/h1-9,12,15,19,23H,10-11,13-14,16H2
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n/an/a 140n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM107898
PNG
(CHEMBL373487 | US8604218, 1.049)
Show SMILES Cc1n[nH]c2ccc(NC3CCCN(Cc4ccccc4)C3)cc12
Show InChI InChI=1S/C20H24N4/c1-15-19-12-17(9-10-20(19)23-22-15)21-18-8-5-11-24(14-18)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18,21H,5,8,11,13-14H2,1H3,(H,22,23)
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n/an/a 150n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196720
PNG
(CHEMBL225168 | N-[1-(3-furylmethyl)-3-piperidyl]-N...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccoc1
Show InChI InChI=1S/C17H20N4O/c1-2-16(11-21(6-1)10-13-5-7-22-12-13)19-15-3-4-17-14(8-15)9-18-20-17/h3-5,7-9,12,16,19H,1-2,6,10-11H2,(H,18,20)
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Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197920
PNG
(CHEMBL266512 | N1-propyl-N4-(5-isoquinolyl)-1,4-cy...)
Show SMILES CCCN[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.10,wD:4.3,(5.83,-10.31,;4.49,-11.09,;3.16,-10.32,;1.82,-11.09,;.49,-10.32,;.49,-8.78,;-.85,-8,;-2.18,-8.79,;-2.18,-10.33,;-.84,-11.09,;-3.51,-8.02,;-4.85,-8.8,;-4.84,-10.35,;-6.18,-11.12,;-7.51,-10.35,;-7.51,-8.81,;-8.83,-8.05,;-8.84,-6.52,;-7.52,-5.74,;-6.19,-6.51,;-6.18,-8.04,)|
Show InChI InChI=1S/C18H25N3/c1-2-11-20-15-6-8-16(9-7-15)21-18-5-3-4-14-13-19-12-10-17(14)18/h3-5,10,12-13,15-16,20-21H,2,6-9,11H2,1H3/t15-,16-
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n/an/a 180n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(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 180n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1/2


(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 180n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197911
PNG
(CHEMBL224360 | N1-propyl-N4-(5-isoquinolyl)-1,4-cy...)
Show SMILES CCCN[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:7.10,4.3,(20.98,-9.84,;19.65,-10.62,;18.32,-9.85,;16.98,-10.62,;15.65,-9.85,;14.31,-10.62,;12.98,-9.86,;12.98,-8.32,;14.31,-7.54,;15.65,-8.31,;11.64,-7.55,;10.31,-8.33,;10.32,-9.88,;8.98,-10.65,;7.65,-9.88,;7.65,-8.34,;6.33,-7.58,;6.32,-6.05,;7.64,-5.28,;8.97,-6.04,;8.98,-7.57,)|
Show InChI InChI=1S/C18H25N3/c1-2-11-20-15-6-8-16(9-7-15)21-18-5-3-4-14-13-19-12-10-17(14)18/h3-5,10,12-13,15-16,20-21H,2,6-9,11H2,1H3/t15-,16+
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n/an/a 180n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197902
PNG
(CHEMBL225492 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3/c22-18-8-6-16(7-9-18)14-25-12-2-4-19(15-25)24-21-5-1-3-17-13-23-11-10-20(17)21/h1,3,5-11,13,19,24H,2,4,12,14-15H2
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n/an/a 185n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50196701
PNG
(CHEMBL224533 | N-(1-(pyridin-4-ylmethyl)piperidin-...)
Show SMILES C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccncc1
Show InChI InChI=1S/C18H21N5/c1-2-17(13-23(9-1)12-14-5-7-19-8-6-14)21-16-3-4-18-15(10-16)11-20-22-18/h3-8,10-11,17,21H,1-2,9,12-13H2,(H,20,22)
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n/an/a 190n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197921
PNG
(CHEMBL375735 | N1-cyclopropyl-N4-(5-isoquinolyl)-1...)
Show SMILES C1CC1N[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:7.11,4.4,(.53,-21.84,;2.07,-21.84,;1.3,-20.51,;1.3,-18.97,;-.04,-18.2,;-1.37,-18.97,;-2.7,-18.21,;-2.71,-16.67,;-1.38,-15.88,;-.04,-16.66,;-4.05,-15.9,;-5.38,-16.68,;-5.37,-18.23,;-6.71,-19,;-8.04,-18.23,;-8.04,-16.69,;-9.37,-15.93,;-9.38,-14.4,;-8.05,-13.62,;-6.72,-14.39,;-6.71,-15.92,)|
Show InChI InChI=1S/C18H23N3/c1-2-13-12-19-11-10-17(13)18(3-1)21-16-8-6-15(7-9-16)20-14-4-5-14/h1-3,10-12,14-16,20-21H,4-9H2/t15-,16+
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n/an/a 195n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197904
PNG
(CHEMBL388285 | N-(1-(2-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H22N4/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14,21H2
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n/an/a 205n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197906
PNG
(CHEMBL224508 | N-(1-(2-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccccc1CN1CCCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22ClN3/c22-20-8-2-1-5-17(20)14-25-12-4-7-18(15-25)24-21-9-3-6-16-13-23-11-10-19(16)21/h1-3,5-6,8-11,13,18,24H,4,7,12,14-15H2
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n/an/a 210n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))
BDBM50197908
PNG
(CHEMBL375882 | N-(1-isobutyl-4-piperidyl)-N-(5-iso...)
Show SMILES CC(C)CN1CCC(CC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C18H25N3/c1-14(2)13-21-10-7-16(8-11-21)20-18-5-3-4-15-12-19-9-6-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
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