Found 179 hits Enz. Inhib. hit(s) with all data for entry = 50039071 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 1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
| DrugBank PDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50027431
(HYDROXYFASUDIL | Hydroxy-Fasudil)Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308898
(3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c26-23(31)18-5-7-21(8-6-18)30-25(33)28-14-16-2-1-3-19(12-16)24(32)29-22-9-4-17-10-11-27-15-20(17)13-22/h1-9,12-13,27H,10-11,14-15H2,(H2,26,31)(H,29,32)(H2,28,30,33) | PDB MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
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 MMDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308858
(3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(4-dimethyla...)Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C(N)=O)c2)cc1 Show InChI InChI=1S/C25H27N5O3/c1-30(2)16-17-6-10-21(11-7-17)28-24(32)20-5-3-4-18(14-20)15-27-25(33)29-22-12-8-19(9-13-22)23(26)31/h3-14H,15-16H2,1-2H3,(H2,26,31)(H,28,32)(H2,27,29,33) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308862
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C25H23N5O2/c26-14-17-4-7-22(8-5-17)30-25(32)28-15-18-2-1-3-20(12-18)24(31)29-23-9-6-19-10-11-27-16-21(19)13-23/h1-9,12-13,27H,10-11,15-16H2,(H,29,31)(H2,28,30,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308897
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...)Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308876
(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C26H27N3O4/c1-32-23-9-7-20(14-24(23)33-2)25(30)28-15-17-4-3-5-19(12-17)26(31)29-22-8-6-18-10-11-27-16-21(18)13-22/h3-9,12-14,27H,10-11,15-16H2,1-2H3,(H,28,30)(H,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308859
(3-[3-(3-Chloro-4-cyano-phenyl)-ureidomethyl]-N-(3-...)Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1 Show InChI InChI=1S/C25H24ClN5O2/c1-31(2)16-17-6-9-21(10-7-17)29-24(32)19-5-3-4-18(12-19)15-28-25(33)30-22-11-8-20(14-27)23(26)13-22/h3-13H,15-16H2,1-2H3,(H,29,32)(H2,28,30,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308875
(3,4-Dimethoxy-N-[3-(2-methyl-1,2,3,4-tetrahydro-is...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 Show InChI InChI=1S/C27H29N3O4/c1-30-12-11-19-7-9-23(14-22(19)17-30)29-27(32)20-6-4-5-18(13-20)16-28-26(31)21-8-10-24(33-2)25(15-21)34-3/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,28,31)(H,29,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308862
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C25H23N5O2/c26-14-17-4-7-22(8-5-17)30-25(32)28-15-18-2-1-3-20(12-18)24(31)29-23-9-6-19-10-11-27-16-21(19)13-23/h1-9,12-13,27H,10-11,15-16H2,(H,29,31)(H2,28,30,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308872
(3,4-Dimethoxy-N-[3-(2-piperidin-3-yl-ethylcarbamoy...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1 Show InChI InChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308861
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(4-dimethyla...)Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1 Show InChI InChI=1S/C25H25N5O2/c1-30(2)17-19-8-12-22(13-9-19)28-24(31)21-5-3-4-20(14-21)16-27-25(32)29-23-10-6-18(15-26)7-11-23/h3-14H,16-17H2,1-2H3,(H,28,31)(H2,27,29,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308871
(CHEMBL599792 | N-[3-(4-Dimethylaminomethyl-phenylc...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C26H29N3O4/c1-29(2)17-18-8-11-22(12-9-18)28-26(31)20-7-5-6-19(14-20)16-27-25(30)21-10-13-23(32-3)24(15-21)33-4/h5-15H,16-17H2,1-4H3,(H,27,30)(H,28,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308871
(CHEMBL599792 | N-[3-(4-Dimethylaminomethyl-phenylc...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C26H29N3O4/c1-29(2)17-18-8-11-22(12-9-18)28-26(31)20-7-5-6-19(14-20)16-27-25(30)21-10-13-23(32-3)24(15-21)33-4/h5-15H,16-17H2,1-4H3,(H,27,30)(H,28,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308900
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1 Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308894
(3-[3-(3-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...)Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H27N5O2/c24-14-18-4-2-8-21(13-18)28-23(30)27-16-19-5-1-7-20(12-19)22(29)26-11-9-17-6-3-10-25-15-17/h1-2,4-5,7-8,12-13,17,25H,3,6,9-11,15-16H2,(H,26,29)(H2,27,28,30) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308872
(3,4-Dimethoxy-N-[3-(2-piperidin-3-yl-ethylcarbamoy...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1 Show InChI InChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308861
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(4-dimethyla...)Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1 Show InChI InChI=1S/C25H25N5O2/c1-30(2)17-19-8-12-22(13-9-19)28-24(31)21-5-3-4-20(14-21)16-27-25(32)29-23-10-6-18(15-26)7-11-23/h3-14H,16-17H2,1-2H3,(H,28,31)(H2,27,29,32) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308877
(3,4-Dimethoxy-N-[3-(2-piperidin-4-yl-ethylcarbamoy...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1 Show InChI InChI=1S/C24H31N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-7,14-15,17,25H,8-13,16H2,1-2H3,(H,26,28)(H,27,29) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308860
(CHEMBL590826 | N-(4-Aminomethyl-phenyl)-3-[3-(4-cy...)Show SMILES NCc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1 Show InChI InChI=1S/C23H21N5O2/c24-13-16-4-8-20(9-5-16)27-22(29)19-3-1-2-18(12-19)15-26-23(30)28-21-10-6-17(14-25)7-11-21/h1-12H,13,15,24H2,(H,27,29)(H2,26,28,30) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308866
(3-Chloro-N-[3-(4-dimethylaminomethyl-phenylcarbamo...)Show SMILES COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C25H26ClN3O3/c1-29(2)16-17-7-10-21(11-8-17)28-25(31)19-6-4-5-18(13-19)15-27-24(30)20-9-12-23(32-3)22(26)14-20/h4-14H,15-16H2,1-3H3,(H,27,30)(H,28,31) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308866
(3-Chloro-N-[3-(4-dimethylaminomethyl-phenylcarbamo...)Show SMILES COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C25H26ClN3O3/c1-29(2)16-17-7-10-21(11-8-17)28-25(31)19-6-4-5-18(13-19)15-27-24(30)20-9-12-23(32-3)22(26)14-20/h4-14H,15-16H2,1-3H3,(H,27,30)(H,28,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this 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 MMDB
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308873
(3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CNCCc2c1 Show InChI InChI=1S/C26H27N3O4/c1-32-23-9-7-20(14-24(23)33-2)25(30)28-15-17-4-3-5-19(12-17)26(31)29-22-8-6-21-16-27-11-10-18(21)13-22/h3-9,12-14,27H,10-11,15-16H2,1-2H3,(H,28,30)(H,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308865
(CHEMBL589102 | N-[3-(4-Dimethylaminomethyl-phenylc...)Show SMILES COc1ccc(cc1C(F)(F)F)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C26H26F3N3O3/c1-32(2)16-17-7-10-21(11-8-17)31-25(34)19-6-4-5-18(13-19)15-30-24(33)20-9-12-23(35-3)22(14-20)26(27,28)29/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308867
(CHEMBL604249 | N-[3-(4-Dimethylaminomethyl-phenylc...)Show SMILES COc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C26H29N3O3/c1-18-14-22(10-13-24(18)32-4)25(30)27-16-20-6-5-7-21(15-20)26(31)28-23-11-8-19(9-12-23)17-29(2)3/h5-15H,16-17H2,1-4H3,(H,27,30)(H,28,31) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
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 MMDB
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308867
(CHEMBL604249 | N-[3-(4-Dimethylaminomethyl-phenylc...)Show SMILES COc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1 Show InChI InChI=1S/C26H29N3O3/c1-18-14-22(10-13-24(18)32-4)25(30)27-16-20-6-5-7-21(15-20)26(31)28-23-11-8-19(9-12-23)17-29(2)3/h5-15H,16-17H2,1-4H3,(H,27,30)(H,28,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase N2
(Homo sapiens (Human)) | BDBM50308898
(3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c26-23(31)18-5-7-21(8-6-18)30-25(33)28-14-16-2-1-3-19(12-16)24(32)29-22-9-4-17-10-11-27-15-20(17)13-22/h1-9,12-13,27H,10-11,14-15H2,(H2,26,31)(H,29,32)(H2,28,30,33) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKN2 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase N2
(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
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKN2 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308899
(CHEMBL605360 | N-[3-(4-Hydroxymethyl-phenylcarbamo...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CO)cc1 Show InChI InChI=1S/C24H24N2O5/c1-30-21-11-8-19(13-22(21)31-2)23(28)25-14-17-4-3-5-18(12-17)24(29)26-20-9-6-16(15-27)7-10-20/h3-13,27H,14-15H2,1-2H3,(H,25,28)(H,26,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308879
(CHEMBL597522 | rac-3,4-dimethoxy-N-(3-((tetrahydro...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCC1CCCO1 Show InChI InChI=1S/C22H26N2O5/c1-27-19-9-8-17(12-20(19)28-2)22(26)23-13-15-5-3-6-16(11-15)21(25)24-14-18-7-4-10-29-18/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3,(H,23,26)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308864
(3-Chloro-N-[3-(4-dimethylaminomethyl-phenylcarbamo...)Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)c2)cc1 Show InChI InChI=1S/C25H23ClF3N3O3/c1-32(2)15-16-6-9-20(10-7-16)31-24(34)18-5-3-4-17(12-18)14-30-23(33)19-8-11-22(21(26)13-19)35-25(27,28)29/h3-13H,14-15H2,1-2H3,(H,30,33)(H,31,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase N2
(Homo sapiens (Human)) | BDBM50308862
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C25H23N5O2/c26-14-17-4-7-22(8-5-17)30-25(32)28-15-18-2-1-3-20(12-18)24(31)29-23-9-6-19-10-11-27-16-21(19)13-23/h1-9,12-13,27H,10-11,15-16H2,(H,29,31)(H2,28,30,32) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKN2 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50308875
(3,4-Dimethoxy-N-[3-(2-methyl-1,2,3,4-tetrahydro-is...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 Show InChI InChI=1S/C27H29N3O4/c1-30-12-11-19-7-9-23(14-22(19)17-30)29-27(32)20-6-4-5-18(13-20)16-28-26(31)21-8-10-24(33-2)25(15-21)34-3/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,28,31)(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 using BFC substrate by fluorescence assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase N2
(Homo sapiens (Human)) | BDBM50308897
(3-[3-(4-Cyano-phenyl)-ureidomethyl]-N-(2-piperidin...)Show SMILES O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N Show InChI InChI=1S/C23H27N5O2/c24-14-17-6-8-21(9-7-17)28-23(30)27-16-19-3-1-5-20(13-19)22(29)26-12-10-18-4-2-11-25-15-18/h1,3,5-9,13,18,25H,2,4,10-12,15-16H2,(H,26,29)(H2,27,28,30) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKN2 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308874
(3,4-Dimethoxy-N-[3-(2-pyridin-4-yl-ethylcarbamoyl)...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1 Show InChI InChI=1S/C24H25N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,26,28)(H,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
cGMP-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50308898
(3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c26-23(31)18-5-7-21(8-6-18)30-25(33)28-14-16-2-1-3-19(12-16)24(32)29-22-9-4-17-10-11-27-15-20(17)13-22/h1-9,12-13,27H,10-11,14-15H2,(H2,26,31)(H,29,32)(H2,28,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PRKG1 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKCepsilon |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50308898
(3-[3-(4-Amido-phenyl)-ureidomethyl]-N-(1,2,3,4-tet...)Show SMILES NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c26-23(31)18-5-7-21(8-6-18)30-25(33)28-14-16-2-1-3-19(12-16)24(32)29-22-9-4-17-10-11-27-15-20(17)13-22/h1-9,12-13,27H,10-11,14-15H2,(H2,26,31)(H,29,32)(H2,28,30,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKCepsilon |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308881
(CHEMBL610775 | rac-3-((3-(3-cyanophenyl)ureido)met...)Show SMILES O=C(NCc1cccc(c1)C(=O)NCC1CCCO1)Nc1cccc(c1)C#N Show InChI InChI=1S/C21H22N4O3/c22-12-15-4-2-7-18(11-15)25-21(27)24-13-16-5-1-6-17(10-16)20(26)23-14-19-8-3-9-28-19/h1-2,4-7,10-11,19H,3,8-9,13-14H2,(H,23,26)(H2,24,25,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50308874
(3,4-Dimethoxy-N-[3-(2-pyridin-4-yl-ethylcarbamoyl)...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1 Show InChI InChI=1S/C24H25N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,26,28)(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK1 by homogenous luciferase assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase N2
(Homo sapiens (Human)) | BDBM50308872
(3,4-Dimethoxy-N-[3-(2-piperidin-3-yl-ethylcarbamoy...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1 Show InChI InChI=1S/C24H31N3O4/c1-30-21-9-8-20(14-22(21)31-2)24(29)27-16-18-5-3-7-19(13-18)23(28)26-12-10-17-6-4-11-25-15-17/h3,5,7-9,13-14,17,25H,4,6,10-12,15-16H2,1-2H3,(H,26,28)(H,27,29) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKN2 |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50308878
(3,4-dimethoxy-N-(3-(propylcarbamoyl)benzyl)benzami...)Show InChI InChI=1S/C20H24N2O4/c1-4-10-21-19(23)15-7-5-6-14(11-15)13-22-20(24)16-8-9-17(25-2)18(12-16)26-3/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,23)(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ROCK2 by IMAP assay |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50308900
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1 Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PKCepsilon |
J Med Chem 53: 759-77 (2010)
Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD |
More data for this Ligand-Target Pair | |