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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'severns' and Initial = 'b'   
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))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
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n/an/a 24n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
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n/an/a 36n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


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

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
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n/an/a 105n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
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n/an/a 203n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/a 288n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
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n/an/a 346n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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n/an/a 350n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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n/an/a 570n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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n/an/an/an/a 150n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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n/an/an/an/a 680n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
PDB
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KEGG

UniProtKB/SwissProt

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UniChem
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n/an/an/an/a 760n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
PDB
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n/an/an/an/a 416n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
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n/an/an/an/a 260n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair