BDBM26579 3-({[4-(carboxymethyl)phenyl]methyl}sulfanyl)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-5-carboxylic acid::H1-A1NI2, 4

SMILES: Cc1ccc2n(C(O)=O)c3nc(SCc4ccc(CC(O)=O)cc4)nnc3c2c1

InChI Key: InChIKey=QVMJVFSHVPPKCP-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 = 26579   

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))	BDBM26579 (3-({[4-(carboxymethyl)phenyl]methyl}sulfanyl)-8-me...) Show SMILES Cc1ccc2n(C(O)=O)c3nc(SCc4ccc(CC(O)=O)cc4)nnc3c2c1 Show InChI InChI=1S/C20H16N4O4S/c1-11-2-7-15-14(8-11)17-18(24(15)20(27)28)21-19(23-22-17)29-10-13-5-3-12(4-6-13)9-16(25)26/h2-8H,9-10H2,1H3,(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Southern California					Assay Description To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...				J Med Chem 52: 20-32 (2009) Article DOI: 10.1021/jm800739m BindingDB Entry DOI: 10.7270/Q21J9822
					More data for this Ligand-Target Pair