BDBM14717 1-(5-chloro 2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea::3-(5-chloro-2,4-dimethoxyphenyl)-1-(5-cyanopyrazin-2-yl)urea::Urea Compound 2
SMILES: COc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
InChI Key: InChIKey=URQYPXQXSVUVRG-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM14717 (1-(5-chloro 2,4-dimethoxyphenyl)-3-(5-cyanopyrazin...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of Chk1 | J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM14717 (1-(5-chloro 2,4-dimethoxyphenyl)-3-(5-cyanopyrazin...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Abbott Laboratories | Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor... | Bioorg Med Chem Lett 16: 2293-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.028 BindingDB Entry DOI: 10.7270/Q26971TD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |