BDBM50358701 CHEMBL1922037
SMILES: COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1
InChI Key: InChIKey=RKLKBHJBYGQXER-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358701 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)) | BDBM50358701
(CHEMBL1922037)Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H25N5O3/c1-34-22-7-3-5-18(11-22)14-28-27(33)25-13-20-9-10-24(21-15-29-30-16-21)31-26(20)32(25)17-19-6-4-8-23(12-19)35-2/h3-13,15-16H,14,17H2,1-2H3,(H,28,33)(H,29,30) | 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 | >2.00E+4 | 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)) | BDBM50358701
(CHEMBL1922037)Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H25N5O3/c1-34-22-7-3-5-18(11-22)14-28-27(33)25-13-20-9-10-24(21-15-29-30-16-21)31-26(20)32(25)17-19-6-4-8-23(12-19)35-2/h3-13,15-16H,14,17H2,1-2H3,(H,28,33)(H,29,30) | 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 | 4.40E+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 | |