BDBM50438886 CHEMBL2420489

SMILES: COc1ccc(cc1OC)-c1csc(c1)C(=O)N1CCCC(C1)C(=O)P(=O)(OC)OC

InChI Key: InChIKey=BDVMNXIMYHNTEE-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50438886   

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
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438886 (CHEMBL2420489) Show SMILES COc1ccc(cc1OC)-c1csc(c1)C(=O)N1CCCC(C1)C(=O)P(=O)(OC)OC Show InChI InChI=1S/C21H26NO7PS/c1-26-17-8-7-14(10-18(17)27-2)16-11-19(31-13-16)20(23)22-9-5-6-15(12-22)21(24)30(25,28-3)29-4/h7-8,10-11,13,15H,5-6,9,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM50438886 (CHEMBL2420489) Show SMILES COc1ccc(cc1OC)-c1csc(c1)C(=O)N1CCCC(C1)C(=O)P(=O)(OC)OC Show InChI InChI=1S/C21H26NO7PS/c1-26-17-8-7-14(10-18(17)27-2)16-11-19(31-13-16)20(23)22-9-5-6-15(12-22)21(24)30(25,28-3)29-4/h7-8,10-11,13,15H,5-6,9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
					More data for this Ligand-Target Pair