null
SMILES: COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1
InChI Key: InChIKey=WHYNQEXITVKVEG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358699 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)) | BDBM50358699
(CHEMBL1922030)Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-15-5-4-6-19(9-15)28-3)22(27)21-11-17-8-7-16(10-20(17)26(21)2)18-12-23-24-13-18/h4-13H,14H2,1-3H3,(H,23,24) | 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 | 1.10E+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)) | BDBM50358699
(CHEMBL1922030)Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-15-5-4-6-19(9-15)28-3)22(27)21-11-17-8-7-16(10-20(17)26(21)2)18-12-23-24-13-18/h4-13H,14H2,1-3H3,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | 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 | |