BDBM92741 NSC402686, 14

SMILES: O=C(CC(=Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=HTHWDJXZBTVFKR-UHFFFAOYSA-N

Data: 1 KI

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 = 92741   

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
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM92741 (NSC402686, 14) Show SMILES O=C(CC(=Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1 |w:4.4| Show InChI InChI=1S/C22H17NO2/c24-21(17-10-4-1-5-11-17)16-20(23-19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh					Assay Description A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.				Biochemistry 51: 6246-59 (2012) Article DOI: 10.1021/bi300490r BindingDB Entry DOI: 10.7270/Q2D7991B
					More data for this Ligand-Target Pair