null
SMILES: COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
InChI Key: InChIKey=BBDLCZJBXCOGMD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358692 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 2
(Homo sapiens (Human)) | BDBM50358692
(CHEMBL1922031)Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-23-13-19(21-15-26-27-16-21)8-9-20(23)14-24(30)25(31)29(3)17-18-6-5-7-22(12-18)32-4/h5-9,12-16H,10-11,17H2,1-4H3,(H,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | 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 | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50358692
(CHEMBL1922031)Show SMILES COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30-23-13-19(21-15-26-27-16-21)8-9-20(23)14-24(30)25(31)29(3)17-18-6-5-7-22(12-18)32-4/h5-9,12-16H,10-11,17H2,1-4H3,(H,26,27) | 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 | 6.90E+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 | |