null
SMILES: COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1
InChI Key: InChIKey=UOLREEVMBAZXFP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358475 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)) | BDBM50358475
(CHEMBL1923164)Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(9-17)12-24-21(26)20-10-16-13-23-18(11-19(16)25-20)15-5-7-22-8-6-15/h2-11,13,25H,12H2,1H3,(H,24,26) | 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: 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)) | BDBM50358475
(CHEMBL1923164)Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C21H18N4O2/c1-27-17-4-2-3-14(9-17)12-24-21(26)20-10-16-13-23-18(11-19(16)25-20)15-5-7-22-8-6-15/h2-11,13,25H,12H2,1H3,(H,24,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | 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 | |