null
SMILES: O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
InChI Key: InChIKey=BYYDKOIEHCMIEC-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358488 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)) | BDBM50358488
(CHEMBL1923175)Show SMILES O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 170 | 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: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358488
(CHEMBL1923175)Show SMILES O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this Ligand-Target Pair | |