BDBM50358703 CHEMBL1922039
SMILES: COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1
InChI Key: InChIKey=HKDHMLZFVTUIRI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358703 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)) | BDBM50358703
(CHEMBL1922039)Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H23N5O3/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(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 | 88 | 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)) | BDBM50358703
(CHEMBL1922039)Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1 Show InChI InChI=1S/C22H23N5O3/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | 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 | |