BDBM50378679 CHEMBL590803

SMILES: COC(=O)c1ccc(COc2ccc(cc2OC)C2Nc3ccccc3C(=O)N2C2CC2)cc1

InChI Key: InChIKey=VGZFCNIECRNQBH-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 = 50378679   

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))	BDBM50378679 (CHEMBL590803) Show SMILES COC(=O)c1ccc(COc2ccc(cc2OC)C2Nc3ccccc3C(=O)N2C2CC2)cc1 Show InChI InChI=1S/C27H26N2O5/c1-32-24-15-19(11-14-23(24)34-16-17-7-9-18(10-8-17)27(31)33-2)25-28-22-6-4-3-5-21(22)26(30)29(25)20-12-13-20/h3-11,14-15,20,25,28H,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20				Bioorg Med Chem 18: 182-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.008 BindingDB Entry DOI: 10.7270/Q2ZS2XGF
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50378679 (CHEMBL590803) Show SMILES COC(=O)c1ccc(COc2ccc(cc2OC)C2Nc3ccccc3C(=O)N2C2CC2)cc1 Show InChI InChI=1S/C27H26N2O5/c1-32-24-15-19(11-14-23(24)34-16-17-7-9-18(10-8-17)27(31)33-2)25-28-22-6-4-3-5-21(22)26(30)29(25)20-12-13-20/h3-11,14-15,20,25,28H,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20				Bioorg Med Chem 18: 182-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.008 BindingDB Entry DOI: 10.7270/Q2ZS2XGF
					More data for this Ligand-Target Pair