BDBM50358705 CHEMBL1922041
SMILES: COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
InChI Key: InChIKey=WITCFZVNIUSGEN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358705 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)) | BDBM50358705
(CHEMBL1922041)Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28) | 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 | 1.00E+3 | 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)) | BDBM50358705
(CHEMBL1922041)Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28) | 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 | 220 | 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 | |