null
SMILES: COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
InChI Key: InChIKey=PHOBRHBNCBQQGX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358489 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)) | BDBM50358489
(CHEMBL1923176)Show SMILES COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25) | 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 | 240 | 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)) | BDBM50358489
(CHEMBL1923176)Show SMILES COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H20N4O2/c1-27-17-4-2-3-14(9-17)7-8-22-21(26)19-13-23-20-10-15(5-6-18(19)20)16-11-24-25-12-16/h2-6,9-13,23H,7-8H2,1H3,(H,22,26)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 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 | |