BDBM50220892 8-(2-amino-acetyl)-5-ethyl-3-methyl-2,5,7,8,9,10-hexahydro-1,2,5,8-tetraaza-cyclopenta[a]anthracen-4-one::CHEMBL400503

SMILES: CCn1c2cc3CN(CCc3cc2c2n[nH]c(C)c2c1=O)C(=O)CN

InChI Key: InChIKey=QYEFWTUIEBZYFP-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220892   

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))	BDBM50220892 (8-(2-amino-acetyl)-5-ethyl-3-methyl-2,5,7,8,9,10-h...) Show SMILES CCn1c2cc3CN(CCc3cc2c2n[nH]c(C)c2c1=O)C(=O)CN Show InChI InChI=1S/C18H21N5O2/c1-3-23-14-7-12-9-22(15(24)8-19)5-4-11(12)6-13(14)17-16(18(23)25)10(2)20-21-17/h6-7H,3-5,8-9,19H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1 by fluorescence assay				Bioorg Med Chem Lett 17: 5989-94 (2007) Article DOI: 10.1016/j.bmcl.2007.07.051 BindingDB Entry DOI: 10.7270/Q2K93775
					More data for this Ligand-Target Pair