Found 1387 hits with Last Name = 'lograsso' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14028
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1 | PDB
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| | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50614318
(CHEMBL5278707)Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12 | PDB
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| | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM108025
(US8604218, 2.039)Show SMILES OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r| Show InChI InChI=1S/C22H25N3O2/c26-11-12-27-20-5-1-3-17(13-20)15-25-10-8-19(16-25)24-22-6-2-4-18-14-23-9-7-21(18)22/h1-7,9,13-14,19,24,26H,8,10-12,15-16H2/t19-/m1/s1 | PDB
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| PC cid
PC sid
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Similars
| | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50614319
(CHEMBL5273210)Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12 | PDB
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| | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50161159
(CHEMBL3793353)Show SMILES [H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)| Show InChI InChI=1S/C18H18ClN3S/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1 | PDB
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| | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM108025
(US8604218, 2.039)Show SMILES OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r| Show InChI InChI=1S/C22H25N3O2/c26-11-12-27-20-5-1-3-17(13-20)15-25-10-8-19(16-25)24-22-6-2-4-18-14-23-9-7-21(18)22/h1-7,9,13-14,19,24,26H,8,10-12,15-16H2/t19-/m1/s1 | PDB
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| | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM217082
(US9302989, 377)Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12)N1Cc2ccccc2C1 Show InChI InChI=1S/C23H22N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-2,5-6,9-12H,3-4,7-8,13-14H2,(H,24,29)(H,26,28) | PDB
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| | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50417857
(CHEMBL1667969)Show InChI InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17) | PDB
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| | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14029
((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 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | 
3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM16015
(CHEMBL252967 | N-cyclopropyl-4-[4-(3,4-dichlorophe...)Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 Show InChI InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30) | PDB
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| Article
PubMed
| n/a | n/a | 0.0780 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Merck Research Laboratories
| Assay Description
HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro... |
Chem Biol 10: 705-12 (2003)
Article DOI: 10.1016/S1074-5521(03)00159-5
BindingDB Entry DOI: 10.7270/Q2DJ5CWZ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50311713
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25) | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute and Department of Molecular Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 19: 6686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM86636
(JNK-IN-11)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+ | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86636
(JNK-IN-11)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+ | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86635
(JNK-IN-10)Show SMILES CN(C)C\C=C\C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C29H29N7O2/c1-20-8-9-21(18-26(20)34-27(37)7-5-17-36(2)3)28(38)32-23-10-12-24(13-11-23)33-29-31-16-14-25(35-29)22-6-4-15-30-19-22/h4-16,18-19H,17H2,1-3H3,(H,32,38)(H,34,37)(H,31,33,35)/b7-5+ | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86634
(JNK-IN-9)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(C)c(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C29H29N7O2/c1-20-8-9-24(32-27(37)7-5-17-36(2)3)18-25(20)28(38)33-22-10-12-23(13-11-22)34-29-31-16-14-26(35-29)21-6-4-15-30-19-21/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+ | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86632
(JNK-IN-7)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+ | PDB
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| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50311728
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1 Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28) | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute and Department of Molecular Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 19: 6686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86630
(JNK-IN-5)Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H20N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h2-16H,1H2,(H,28,32)(H,29,33)(H,27,30,31) | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86633
(JNK-IN-8)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1 Show InChI InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+ | PDB
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| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format. |
Chem Biol 19: 140-54 (2012)
Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246461
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50026615
(CHEMBL1922045)Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246459
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NC1CC1 Show InChI InChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431137
(CHEMBL2332060)Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431143
(CHEMBL2332057)Show InChI InChI=1S/C19H20N4O2/c24-11-10-18(15-4-2-1-3-5-15)23-19(25)22-17-8-6-14(7-9-17)16-12-20-21-13-16/h1-9,12-13,18,24H,10-11H2,(H,20,21)(H2,22,23,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431134
(CHEMBL2332068)Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431135
(CHEMBL2332065)Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431144
(CHEMBL2332099)Show SMILES COc1cccc(CN(C2CC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H22N4O2/c1-27-20-4-2-3-15(11-20)14-25(19-9-10-19)21(26)24-18-7-5-16(6-8-18)17-12-22-23-13-17/h2-8,11-13,19H,9-10,14H2,1H3,(H,22,23)(H,24,26) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431145
(CHEMBL2332098)Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H22N4O2/c1-3-24(14-15-5-4-6-19(11-15)26-2)20(25)23-18-9-7-16(8-10-18)17-12-21-22-13-17/h4-13H,3,14H2,1-2H3,(H,21,22)(H,23,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50431138
(CHEMBL2332097)Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C19H20N4O2/c1-23(13-14-4-3-5-18(10-14)25-2)19(24)22-17-8-6-15(7-9-17)16-11-20-21-12-16/h3-12H,13H2,1-2H3,(H,20,21)(H,22,24) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay |
J Med Chem 56: 3568-81 (2013)
Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50246460
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24N6O2/c29-28-30-11-10-22(34-28)18-6-8-23-24(14-18)33-26(32-23)21-13-20-12-19(7-9-25(20)36-16-21)27(35)31-15-17-4-2-1-3-5-17/h1-12,14,21H,13,15-16H2,(H,31,35)(H,32,33)(H2,29,30,34) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Florida
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6390-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026615
(CHEMBL1922045)Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358486
(CHEMBL1923173)Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358713
(CHEMBL1922128)Show SMILES COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H24N4O3/c1-30-19-5-2-4-16(10-19)12-24-23(29)21-15-27(8-3-9-28)22-11-17(6-7-20(21)22)18-13-25-26-14-18/h2,4-7,10-11,13-15,28H,3,8-9,12H2,1H3,(H,24,29)(H,25,26) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 21: 7113-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358712
(CHEMBL1922127)Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30(16-18-6-5-7-21(12-18)32-4)25(31)23-17-29(3)24-13-19(8-9-22(23)24)20-14-26-27-15-20/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 21: 7113-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358711
(CHEMBL1922126)Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H31N5O2/c1-29(2)11-6-12-31(17-19-7-5-8-22(13-19)33-4)26(32)24-18-30(3)25-14-20(9-10-23(24)25)21-15-27-28-16-21/h5,7-10,13-16,18H,6,11-12,17H2,1-4H3,(H,27,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
Bioorg Med Chem Lett 21: 7113-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50089582
(CHEMBL3578250 | US9914740, I-1)Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1 |r| Show InChI InChI=1S/C22H20N2O3/c1-14(15-4-3-5-18(10-15)26-2)24-22(25)16-6-7-20-19-8-9-23-12-17(19)13-27-21(20)11-16/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1 | PDB
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358494
(CHEMBL1923181)Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50032821
(CHEMBL3355178)Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1 Show InChI InChI=1S/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay |
J Med Chem 57: 10013-30 (2014)
Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338718
(2-(6-fluorochroman-3-yl)-8-methoxy-6-(1H-pyrazol-4...)Show SMILES COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1 Show InChI InChI=1S/C21H17FN4O3/c1-28-18-7-11(14-8-23-24-9-14)6-16-19(18)25-20(26-21(16)27)13-4-12-5-15(22)2-3-17(12)29-10-13/h2-3,5-9,13H,4,10H2,1H3,(H,23,24)(H,25,26,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026330
(CHEMBL1684210)Show SMILES O=C(NCCN1CCOCC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C27H28N6O4/c34-26(28-5-6-33-7-9-36-10-8-33)18-2-4-24-19(11-18)12-20(16-37-24)25-31-23-3-1-17(21-14-29-30-15-21)13-22(23)27(35)32-25/h1-4,11,13-15,20H,5-10,12,16H2,(H,28,34)(H,29,30)(H,31,32,35) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026332
(CHEMBL1684209)Show SMILES O=C(NCCc1ccccn1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C28H24N6O3/c35-27(30-10-8-22-3-1-2-9-29-22)18-5-7-25-19(11-18)12-20(16-37-25)26-33-24-6-4-17(21-14-31-32-15-21)13-23(24)28(36)34-26/h1-7,9,11,13-15,20H,8,10,12,16H2,(H,30,35)(H,31,32)(H,33,34,36) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338703
(CHEMBL1684208 | N-cyclopropyl-3-(4-oxo-6-(1H-pyraz...)Show SMILES O=C(NC1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026328
(CHEMBL1684207)Show SMILES COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50338722
(8-methoxy-2-((3-methoxyphenoxy)methyl)-6-(1H-pyraz...)Show SMILES COc1cccc(OCc2nc3c(OC)cc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C20H18N4O4/c1-26-14-4-3-5-15(8-14)28-11-18-23-19-16(20(25)24-18)6-12(7-17(19)27-2)13-9-21-22-10-13/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026327
(CHEMBL1684206)Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C25H26N6O3/c1-31(2)8-7-26-24(32)16-4-6-22-17(9-16)10-18(14-34-22)23-29-21-5-3-15(19-12-27-28-13-19)11-20(21)25(33)30-23/h3-6,9,11-13,18H,7-8,10,14H2,1-2H3,(H,26,32)(H,27,28)(H,29,30,33) | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026346
(CHEMBL1684201)Show SMILES [H][C@]1(COc2ccc(OC)cc2C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H16N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-4-2-12(15-9-22-23-10-15)8-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3/t14-/m0/s1 | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026347
(CHEMBL1684197)Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccccc2C1 Show InChI InChI=1S/C20H14N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2 | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 by HTRF assay |
Bioorg Med Chem Lett 21: 1844-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50324585
(CHEMBL1215022 | N-(4-(1H-Pyrazol-4-yl)phenyl)-2-am...)Show SMILES NC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN4O/c18-14-5-1-12(2-6-14)16(19)17(23)22-15-7-3-11(4-8-15)13-9-20-21-10-13/h1-10,16H,19H2,(H,20,21)(H,22,23) | PDB
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The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
J Med Chem 53: 5727-37 (2010)
Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50324574
((R)-6-Methoxy-N-(2-((1-methylpiperidin-4-yl)methox...)Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1 | PDB
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The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
J Med Chem 53: 5727-37 (2010)
Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C |
More data for this
Ligand-Target Pair | |
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