BDBM50425047 CHEMBL2312570::US9402842, 22

SMILES: COC(=O)C(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1

InChI Key: InChIKey=CGKWENCMZIHWAP-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 = 50425047   

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 (TDP1) (Homo sapiens (Human))	BDBM50425047 (CHEMBL2312570 | US9402842, 22) Show SMILES COC(=O)C(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1 Show InChI InChI=1S/C22H19N3O5/c1-30-22(29)20(27)24-12-7-8-13-16(11-12)21(28)25(10-4-9-23)18-14-5-2-3-6-15(14)19(26)17(13)18/h2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...				J Med Chem 56: 182-200 (2013) Article DOI: 10.1021/jm3014458 BindingDB Entry DOI: 10.7270/Q2MS3V3Z
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50425047 (CHEMBL2312570 | US9402842, 22) Show SMILES COC(=O)C(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1 Show InChI InChI=1S/C22H19N3O5/c1-30-22(29)20(27)24-12-7-8-13-16(11-12)21(28)25(10-4-9-23)18-14-5-2-3-6-15(14)19(26)17(13)18/h2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	7.5	25
Purdue Research Foundation US Patent					Assay Description A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...				US Patent US9402842 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q9R
					More data for this Ligand-Target Pair