BDBM50257124 CHEMBL4070873

SMILES: CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O

InChI Key: InChIKey=BNRFZTXOBLEOGA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50257124   

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 1 (Homo sapiens (Human))	BDBM50257124 (CHEMBL4070873) Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O Show InChI InChI=1S/C20H18FN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine as substrate after 15 mins...				J Med Chem 60: 5364-5376 (2017) Article DOI: 10.1021/acs.jmedchem.6b01870 BindingDB Entry DOI: 10.7270/Q290266B
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50257124 (CHEMBL4070873) Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O Show InChI InChI=1S/C20H18FN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human TDP2 using 3'-labeled alpha-[32P]-cordycepin as substrate after 15 mins				J Med Chem 60: 5364-5376 (2017) Article DOI: 10.1021/acs.jmedchem.6b01870 BindingDB Entry DOI: 10.7270/Q290266B
					More data for this Ligand-Target Pair