BDBM50237801 CHEMBL4081000

SMILES: COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(ccc12)[N+]([O-])=O

InChI Key: InChIKey=IDPVANAVAHLPSG-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 = 50237801   

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))	BDBM50237801 (CHEMBL4081000) Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H22N4O5/c1-32-15-12-18-20(24-13-15)21-19(22(18)28)16-6-5-14(27(30)31)11-17(16)23(29)26(21)10-4-9-25-7-2-3-8-25/h5-6,11-13H,2-4,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant human Tdp2 assessed as decrease in alpha 32P-cordycepin-3'-labeled DNA breaks after 15 mins by PAGE analysis				J Med Chem 60: 3275-3288 (2017) Article DOI: 10.1021/acs.jmedchem.6b01565 BindingDB Entry DOI: 10.7270/Q24Q7X72
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50237801 (CHEMBL4081000) Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H22N4O5/c1-32-15-12-18-20(24-13-15)21-19(22(18)28)16-6-5-14(27(30)31)11-17(16)23(29)26(21)10-4-9-25-7-2-3-8-25/h5-6,11-13H,2-4,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2 cyclin A				J Med Chem 60: 3275-3288 (2017) Article DOI: 10.1021/acs.jmedchem.6b01565 BindingDB Entry DOI: 10.7270/Q24Q7X72
					More data for this Ligand-Target Pair