BDBM50358710 CHEMBL1922125
SMILES: COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1
InChI Key: InChIKey=ZYBXRSQAQUYTFT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358710 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)) | BDBM50358710
(CHEMBL1922125)Show SMILES COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29) | 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 | 21 | 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)) | BDBM50358710
(CHEMBL1922125)Show SMILES COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H22N4O2/c1-32-22-9-5-6-18(12-22)14-27-26(31)24-17-30(21-7-3-2-4-8-21)25-13-19(10-11-23(24)25)20-15-28-29-16-20/h2-13,15-17H,14H2,1H3,(H,27,31)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | 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 | |