BDBM50358708 CHEMBL1922044
SMILES: COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
InChI Key: InChIKey=VIWMCGWPKWDOBH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358708 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)) | BDBM50358708
(CHEMBL1922044)Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29) | 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 | 121 | 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)) | BDBM50358708
(CHEMBL1922044)Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H28N6O2/c1-33-21-6-4-5-18(13-21)17-31(12-11-30-9-2-3-10-30)25(32)23-14-19-7-8-22(28-24(19)29-23)20-15-26-27-16-20/h4-8,13-16H,2-3,9-12,17H2,1H3,(H,26,27)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | 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 | |