BDBM50325163 5-methyl-8-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one::CHEMBL1223386

SMILES: CN1CCN(Cc2ccc(cc2)-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)CC1

InChI Key: InChIKey=DBUJQRALRKDCPM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325163   

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))	BDBM50325163 (5-methyl-8-(4-((4-methylpiperazin-1-yl)methyl)phen...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)CC1 Show InChI InChI=1S/C23H25N5O/c1-16-13-22-24-25-23(29)28(22)21-14-19(7-8-20(16)21)18-5-3-17(4-6-18)15-27-11-9-26(2)10-12-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair