null
SMILES: COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
InChI Key: InChIKey=OPSKOBJDDUDMAW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358716 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)) | BDBM50358716
(CHEMBL1922133)Show SMILES COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H21N5O2/c1-29-17-4-2-3-14(9-17)13-27(16-5-6-16)22(28)19-12-23-21-18(19)7-8-20(26-21)15-10-24-25-11-15/h2-4,7-12,16H,5-6,13H2,1H3,(H,23,26)(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 | 30 | 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)) | BDBM50358716
(CHEMBL1922133)Show SMILES COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H21N5O2/c1-29-17-4-2-3-14(9-17)13-27(16-5-6-16)22(28)19-12-23-21-18(19)7-8-20(26-21)15-10-24-25-11-15/h2-4,7-12,16H,5-6,13H2,1H3,(H,23,26)(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 | 6 | 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 | |