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Compile Data Set for Download or QSAR

Found 67 hits from Agoralaan Abis   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087130
PNG
(CHEMBL3426625)
Show SMILES COC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C29H25FN4O4/c1-38-27(35)13-18-5-9-23(10-6-18)33-28(36)20-4-2-3-19(14-20)24-15-21(7-8-22(24)16-31)29(37)34-26-11-12-32-17-25(26)30/h2-12,14-15,17H,13,16,31H2,1H3,(H,33,36)(H,32,34,37)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087131
PNG
(CHEMBL3426624)
Show SMILES COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)17-7-9-22(10-8-17)32-26(34)19-4-2-3-18(13-19)23-14-20(5-6-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087127
PNG
(CHEMBL3426637)
Show SMILES COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)20-6-2-5-18(12-20)26(34)32-22-7-3-4-17(13-22)23-14-19(8-9-21(23)15-30)27(35)33-25-10-11-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087126
PNG
(CHEMBL3426639)
Show SMILES COC(=O)c1ccc(F)c(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H22F2N4O4/c1-38-28(37)18-7-8-23(29)22(13-18)27(36)33-20-4-2-3-16(11-20)21-12-17(5-6-19(21)14-31)26(35)34-25-9-10-32-15-24(25)30/h2-13,15H,14,31H2,1H3,(H,33,36)(H,32,34,35)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087125
PNG
(CHEMBL3426640)
Show SMILES COCCOC(=O)c1ccc(F)c(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H26F2N4O5/c1-40-11-12-41-30(39)20-7-8-25(31)24(15-20)29(38)35-22-4-2-3-18(13-22)23-14-19(5-6-21(23)16-33)28(37)36-27-9-10-34-17-26(27)32/h2-10,13-15,17H,11-12,16,33H2,1H3,(H,35,38)(H,34,36,37)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087275
PNG
(CHEMBL3426644)
Show SMILES NCc1ccc(cc1-c1cccc(NC(=O)c2cccc(c2)C(O)=O)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C27H21FN4O4/c28-23-15-30-10-9-24(23)32-26(34)18-7-8-20(14-29)22(13-18)16-3-2-6-21(12-16)31-25(33)17-4-1-5-19(11-17)27(35)36/h1-13,15H,14,29H2,(H,31,33)(H,35,36)(H,30,32,34)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087270
PNG
(CHEMBL3426645)
Show SMILES NCc1ccc(cc1-c1cccc(NC(=O)c2cc(ccc2F)C(O)=O)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C27H20F2N4O4/c28-22-7-6-17(27(36)37)12-21(22)26(35)32-19-3-1-2-15(10-19)20-11-16(4-5-18(20)13-30)25(34)33-24-8-9-31-14-23(24)29/h1-12,14H,13,30H2,(H,32,35)(H,36,37)(H,31,33,34)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087122
PNG
(CHEMBL3426647)
Show SMILES CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C31H29FN4O4/c1-19(2)40-29(37)14-20-6-10-25(11-7-20)35-30(38)22-5-3-4-21(15-22)26-16-23(8-9-24(26)17-33)31(39)36-28-12-13-34-18-27(28)32/h3-13,15-16,18-19H,14,17,33H2,1-2H3,(H,35,38)(H,34,36,39)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087121
PNG
(CHEMBL3426723)
Show SMILES CC[C@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C32H31FN4O4/c1-3-20(2)41-30(38)15-21-7-11-26(12-8-21)36-31(39)23-6-4-5-22(16-23)27-17-24(9-10-25(27)18-34)32(40)37-29-13-14-35-19-28(29)33/h4-14,16-17,19-20H,3,15,18,34H2,1-2H3,(H,36,39)(H,35,37,40)/t20-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087170
PNG
(CHEMBL3426724)
Show SMILES CC[C@@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C32H31FN4O4/c1-3-20(2)41-30(38)15-21-7-11-26(12-8-21)36-31(39)23-6-4-5-22(16-23)27-17-24(9-10-25(27)18-34)32(40)37-29-13-14-35-19-28(29)33/h4-14,16-17,19-20H,3,15,18,34H2,1-2H3,(H,36,39)(H,35,37,40)/t20-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087169
PNG
(CHEMBL3426725)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCOCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O5/c34-29-20-36-13-10-30(29)38-33(41)24-6-7-25(19-35)28(18-24)22-2-1-3-23(17-22)32(40)37-26-8-4-21(5-9-26)16-31(39)43-27-11-14-42-15-12-27/h1-10,13,17-18,20,27H,11-12,14-16,19,35H2,(H,37,40)(H,36,38,41)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087167
PNG
(CHEMBL3426727)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O4/c34-29-20-36-15-14-30(29)38-33(41)24-10-11-25(19-35)28(18-24)22-4-3-5-23(17-22)32(40)37-26-12-8-21(9-13-26)16-31(39)42-27-6-1-2-7-27/h3-5,8-15,17-18,20,27H,1-2,6-7,16,19,35H2,(H,37,40)(H,36,38,41)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087166
PNG
(CHEMBL3426728)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCCOC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O5/c34-29-19-36-13-12-30(29)38-33(41)24-8-9-25(18-35)28(17-24)22-3-1-4-23(16-22)32(40)37-26-10-6-21(7-11-26)15-31(39)43-27-5-2-14-42-20-27/h1,3-4,6-13,16-17,19,27H,2,5,14-15,18,20,35H2,(H,37,40)(H,36,38,41)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087165
PNG
(CHEMBL3426729)
Show SMILES CN1CCC(CC1)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C34H34FN5O4/c1-40-15-12-28(13-16-40)44-32(41)17-22-5-9-27(10-6-22)38-33(42)24-4-2-3-23(18-24)29-19-25(7-8-26(29)20-36)34(43)39-31-11-14-37-21-30(31)35/h2-11,14,18-19,21,28H,12-13,15-17,20,36H2,1H3,(H,38,42)(H,37,39,43)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087138
PNG
(CHEMBL3426730)
Show SMILES CCCOC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C30H27FN4O4/c1-2-14-39-30(38)19-8-10-24(11-9-19)34-28(36)21-5-3-4-20(15-21)25-16-22(6-7-23(25)17-32)29(37)35-27-12-13-33-18-26(27)31/h3-13,15-16,18H,2,14,17,32H2,1H3,(H,34,36)(H,33,35,37)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087137
PNG
(CHEMBL3426731)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)18-7-5-17(6-8-18)26(34)32-22-4-2-3-19(13-22)23-14-20(9-10-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087136
PNG
(CHEMBL3426732)
Show SMILES NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(cc2)C(O)=O)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C27H21FN4O4/c28-23-15-30-11-10-24(23)32-26(34)19-8-9-20(14-29)22(13-19)18-2-1-3-21(12-18)31-25(33)16-4-6-17(7-5-16)27(35)36/h1-13,15H,14,29H2,(H,31,33)(H,35,36)(H,30,32,34)
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n/an/a 1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087122
PNG
(CHEMBL3426647)
Show SMILES CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C31H29FN4O4/c1-19(2)40-29(37)14-20-6-10-25(11-7-20)35-30(38)22-5-3-4-21(15-22)26-16-23(8-9-24(26)17-33)31(39)36-28-12-13-34-18-27(28)32/h3-13,15-16,18-19H,14,17,33H2,1-2H3,(H,35,38)(H,34,36,39)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087121
PNG
(CHEMBL3426723)
Show SMILES CC[C@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C32H31FN4O4/c1-3-20(2)41-30(38)15-21-7-11-26(12-8-21)36-31(39)23-6-4-5-22(16-23)27-17-24(9-10-25(27)18-34)32(40)37-29-13-14-35-19-28(29)33/h4-14,16-17,19-20H,3,15,18,34H2,1-2H3,(H,36,39)(H,35,37,40)/t20-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087170
PNG
(CHEMBL3426724)
Show SMILES CC[C@@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C32H31FN4O4/c1-3-20(2)41-30(38)15-21-7-11-26(12-8-21)36-31(39)23-6-4-5-22(16-23)27-17-24(9-10-25(27)18-34)32(40)37-29-13-14-35-19-28(29)33/h4-14,16-17,19-20H,3,15,18,34H2,1-2H3,(H,36,39)(H,35,37,40)/t20-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087169
PNG
(CHEMBL3426725)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCOCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O5/c34-29-20-36-13-10-30(29)38-33(41)24-6-7-25(19-35)28(18-24)22-2-1-3-23(17-22)32(40)37-26-8-4-21(5-9-26)16-31(39)43-27-11-14-42-15-12-27/h1-10,13,17-18,20,27H,11-12,14-16,19,35H2,(H,37,40)(H,36,38,41)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087166
PNG
(CHEMBL3426728)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCCOC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O5/c34-29-19-36-13-12-30(29)38-33(41)24-8-9-25(18-35)28(17-24)22-3-1-4-23(16-22)32(40)37-26-10-6-21(7-11-26)15-31(39)43-27-5-2-14-42-20-27/h1,3-4,6-13,16-17,19,27H,2,5,14-15,18,20,35H2,(H,37,40)(H,36,38,41)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50087133
PNG
(CHEMBL3426622)
Show SMILES COC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)20-6-3-7-22(13-20)32-26(34)18-5-2-4-17(12-18)23-14-19(8-9-21(23)15-30)27(35)33-25-10-11-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK1 expressed in insect cells using long S6 kinase peptide as substrate by radiometric assay in presence ...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50087132
PNG
(CHEMBL3426623)
Show SMILES COC(=O)Cc1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C29H25FN4O4/c1-38-27(35)13-18-4-2-7-23(12-18)33-28(36)20-6-3-5-19(14-20)24-15-21(8-9-22(24)16-31)29(37)34-26-10-11-32-17-25(26)30/h2-12,14-15,17H,13,16,31H2,1H3,(H,33,36)(H,32,34,37)
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n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK1 expressed in insect cells using long S6 kinase peptide as substrate by radiometric assay in presence ...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50087131
PNG
(CHEMBL3426624)
Show SMILES COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)17-7-9-22(10-8-17)32-26(34)19-4-2-3-18(13-19)23-14-20(5-6-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK1 expressed in insect cells using long S6 kinase peptide as substrate by radiometric assay in presence ...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50087130
PNG
(CHEMBL3426625)
Show SMILES COC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C29H25FN4O4/c1-38-27(35)13-18-5-9-23(10-6-18)33-28(36)20-4-2-3-19(14-20)24-15-21(7-8-22(24)16-31)29(37)34-26-11-12-32-17-25(26)30/h2-12,14-15,17H,13,16,31H2,1H3,(H,33,36)(H,32,34,37)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK1 expressed in insect cells using long S6 kinase peptide as substrate by radiometric assay in presence ...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087134
PNG
(CHEMBL3426620)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccccc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C26H21FN4O2/c27-23-16-29-12-11-24(23)31-26(33)19-9-10-20(15-28)22(14-19)17-5-4-6-18(13-17)25(32)30-21-7-2-1-3-8-21/h1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087132
PNG
(CHEMBL3426623)
Show SMILES COC(=O)Cc1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C29H25FN4O4/c1-38-27(35)13-18-4-2-7-23(12-18)33-28(36)20-6-3-5-19(14-20)24-15-21(8-9-22(24)16-31)29(37)34-26-10-11-32-17-25(26)30/h2-12,14-15,17H,13,16,31H2,1H3,(H,33,36)(H,32,34,37)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087133
PNG
(CHEMBL3426622)
Show SMILES COC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)20-6-3-7-22(13-20)32-26(34)18-5-2-4-17(12-18)23-14-19(8-9-21(23)15-30)27(35)33-25-10-11-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087124
PNG
(CHEMBL3426641)
Show SMILES COC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1F
Show InChI InChI=1S/C28H22F2N4O4/c1-38-28(37)20-6-3-7-24(25(20)30)34-26(35)17-5-2-4-16(12-17)21-13-18(8-9-19(21)14-31)27(36)33-23-10-11-32-15-22(23)29/h2-13,15H,14,31H2,1H3,(H,34,35)(H,32,33,36)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087167
PNG
(CHEMBL3426727)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O4/c34-29-20-36-15-14-30(29)38-33(41)24-10-11-25(19-35)28(18-24)22-4-3-5-23(17-22)32(40)37-26-12-8-21(9-13-26)16-31(39)42-27-6-1-2-7-27/h3-5,8-15,17-18,20,27H,1-2,6-7,16,19,35H2,(H,37,40)(H,36,38,41)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087168
PNG
(CHEMBL3426726)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C32H29FN4O4/c33-28-19-35-14-13-29(28)37-32(40)23-9-10-24(18-34)27(17-23)21-3-1-4-22(16-21)31(39)36-25-11-7-20(8-12-25)15-30(38)41-26-5-2-6-26/h1,3-4,7-14,16-17,19,26H,2,5-6,15,18,34H2,(H,36,39)(H,35,37,40)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087126
PNG
(CHEMBL3426639)
Show SMILES COC(=O)c1ccc(F)c(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H22F2N4O4/c1-38-28(37)18-7-8-23(29)22(13-18)27(36)33-20-4-2-3-16(11-20)21-12-17(5-6-19(21)14-31)26(35)34-25-9-10-32-15-24(25)30/h2-13,15H,14,31H2,1H3,(H,33,36)(H,32,34,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087123
PNG
(CHEMBL3426642)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(C(=O)OC2CCCC2)c1F)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C32H28F2N4O4/c33-26-18-36-14-13-27(26)37-31(40)21-11-12-22(17-35)25(16-21)19-5-3-6-20(15-19)30(39)38-28-10-4-9-24(29(28)34)32(41)42-23-7-1-2-8-23/h3-6,9-16,18,23H,1-2,7-8,17,35H2,(H,38,39)(H,36,37,40)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087168
PNG
(CHEMBL3426726)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C32H29FN4O4/c33-28-19-35-14-13-29(28)37-32(40)23-9-10-24(18-34)27(17-23)21-3-1-4-22(16-21)31(39)36-25-11-7-20(8-12-25)15-30(38)41-26-5-2-6-26/h1,3-4,7-14,16-17,19,26H,2,5-6,15,18,34H2,(H,36,39)(H,35,37,40)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087443
PNG
(CHEMBL3426627)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(CC(O)=O)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H23FN4O4/c29-24-16-31-10-9-25(24)33-28(37)20-7-8-21(15-30)23(14-20)18-4-2-5-19(13-18)27(36)32-22-6-1-3-17(11-22)12-26(34)35/h1-11,13-14,16H,12,15,30H2,(H,32,36)(H,34,35)(H,31,33,37)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087129
PNG
(CHEMBL3426633)
Show SMILES COC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C28H22F2N4O4/c1-38-28(37)19-7-8-22(29)25(13-19)34-26(35)17-4-2-3-16(11-17)21-12-18(5-6-20(21)14-31)27(36)33-24-9-10-32-15-23(24)30/h2-13,15H,14,31H2,1H3,(H,34,35)(H,32,33,36)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087441
PNG
(CHEMBL3426629)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(O)=O)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H23FN4O4/c29-24-16-31-11-10-25(24)33-28(37)20-6-7-21(15-30)23(14-20)18-2-1-3-19(13-18)27(36)32-22-8-4-17(5-9-22)12-26(34)35/h1-11,13-14,16H,12,15,30H2,(H,32,36)(H,34,35)(H,31,33,37)
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n/an/a 1.80n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087283
PNG
(CHEMBL3426638)
Show SMILES CCCOC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H27FN4O4/c1-2-13-39-30(38)22-7-3-6-20(14-22)28(36)34-24-8-4-5-19(15-24)25-16-21(9-10-23(25)17-32)29(37)35-27-11-12-33-18-26(27)31/h3-12,14-16,18H,2,13,17,32H2,1H3,(H,34,36)(H,33,35,37)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087279
PNG
(CHEMBL3426643)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cc(ccc1F)C(O)=O)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C27H20F2N4O4/c28-21-7-6-18(27(36)37)12-24(21)33-25(34)16-3-1-2-15(10-16)20-11-17(4-5-19(20)13-30)26(35)32-23-8-9-31-14-22(23)29/h1-12,14H,13,30H2,(H,33,34)(H,36,37)(H,31,32,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087437
PNG
(CHEMBL3426634)
Show SMILES CCCOC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C30H26F2N4O4/c1-2-12-40-30(39)21-8-9-24(31)27(15-21)36-28(37)19-5-3-4-18(13-19)23-14-20(6-7-22(23)16-33)29(38)35-26-10-11-34-17-25(26)32/h3-11,13-15,17H,2,12,16,33H2,1H3,(H,36,37)(H,34,35,38)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087127
PNG
(CHEMBL3426637)
Show SMILES COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)20-6-2-5-18(12-20)26(34)32-22-7-3-4-17(13-22)23-14-19(8-9-21(23)15-30)27(35)33-25-10-11-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087125
PNG
(CHEMBL3426640)
Show SMILES COCCOC(=O)c1ccc(F)c(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H26F2N4O5/c1-40-11-12-41-30(39)20-7-8-25(31)24(15-20)29(38)35-22-4-2-3-18(13-22)23-14-19(5-6-21(23)16-33)28(37)36-27-9-10-34-17-26(27)32/h2-10,13-15,17H,11-12,16,33H2,1H3,(H,35,38)(H,34,36,37)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442817
PNG
(CHEMBL2440737)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCO1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C25H24FN3O4/c26-22-14-28-9-8-23(22)29-24(30)17-6-7-19(13-27)21(12-17)16-3-1-4-18(11-16)25(31)33-15-20-5-2-10-32-20/h1,3-4,6-9,11-12,14,20H,2,5,10,13,15,27H2,(H,28,29,30)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087438
PNG
(CHEMBL3426632)
Show SMILES CCC(C)OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C31H29FN4O4/c1-3-19(2)40-31(39)23-8-5-9-25(15-23)35-29(37)21-7-4-6-20(14-21)26-16-22(10-11-24(26)17-33)30(38)36-28-12-13-34-18-27(28)32/h4-16,18-19H,3,17,33H2,1-2H3,(H,35,37)(H,34,36,38)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087137
PNG
(CHEMBL3426731)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C28H23FN4O4/c1-37-28(36)18-7-5-17(6-8-18)26(34)32-22-4-2-3-19(13-22)23-14-20(9-10-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087442
PNG
(CHEMBL3426628)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(cc1)C(O)=O)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C27H21FN4O4/c28-23-15-30-11-10-24(23)32-26(34)19-4-5-20(14-29)22(13-19)17-2-1-3-18(12-17)25(33)31-21-8-6-16(7-9-21)27(35)36/h1-13,15H,14,29H2,(H,31,33)(H,35,36)(H,30,32,34)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087286
PNG
(CHEMBL3426636)
Show SMILES CC[C@@H](C)OC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C31H28F2N4O4/c1-3-18(2)41-31(40)22-9-10-25(32)28(15-22)37-29(38)20-6-4-5-19(13-20)24-14-21(7-8-23(24)16-34)30(39)36-27-11-12-35-17-26(27)33/h4-15,17-18H,3,16,34H2,1-2H3,(H,37,38)(H,35,36,39)/t18-/m1/s1
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087171
PNG
(CHEMBL3426646)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(C(O)=O)c1F)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C27H20F2N4O4/c28-21-14-31-10-9-22(21)32-26(35)17-7-8-18(13-30)20(12-17)15-3-1-4-16(11-15)25(34)33-23-6-2-5-19(24(23)29)27(36)37/h1-12,14H,13,30H2,(H,33,34)(H,36,37)(H,31,32,35)
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50087135
PNG
(CHEMBL3426621)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12
Show InChI InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1
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Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
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