null
SMILES: COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1
InChI Key: InChIKey=UFRZVVLEFMQDSZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358719 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)) | BDBM50358719
(CHEMBL1922137)Show SMILES COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H28N6O2/c1-33-20-6-4-5-18(13-20)14-26-25(32)22-17-31(12-11-30-9-2-3-10-30)24-21(22)7-8-23(29-24)19-15-27-28-16-19/h4-8,13,15-17H,2-3,9-12,14H2,1H3,(H,26,32)(H,27,28) | 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 | 89 | 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)) | BDBM50358719
(CHEMBL1922137)Show SMILES COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H28N6O2/c1-33-20-6-4-5-18(13-20)14-26-25(32)22-17-31(12-11-30-9-2-3-10-30)24-21(22)7-8-23(29-24)19-15-27-28-16-19/h4-8,13,15-17H,2-3,9-12,14H2,1H3,(H,26,32)(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | 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 | |