null
SMILES: COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
InChI Key: InChIKey=DAUYMMIZLDRLGQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358718 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50358718
(CHEMBL1922135)Show SMILES COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H33N7O2/c1-32-11-13-33(14-12-32)9-4-10-34(19-20-5-3-6-22(15-20)36-2)27(35)24-18-28-26-23(24)7-8-25(31-26)21-16-29-30-17-21/h3,5-8,15-18H,4,9-14,19H2,1-2H3,(H,28,31)(H,29,30) | 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 | 260 | 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: 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)) | BDBM50358718
(CHEMBL1922135)Show SMILES COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H33N7O2/c1-32-11-13-33(14-12-32)9-4-10-34(19-20-5-3-6-22(15-20)36-2)27(35)24-18-28-26-23(24)7-8-25(31-26)21-16-29-30-17-21/h3,5-8,15-18H,4,9-14,19H2,1-2H3,(H,28,31)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 62 | 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 | |