BDBM50165474 3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl acetate::Acetic acid 3-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phenyl ester::CHEMBL371244

SMILES: CC(=O)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

InChI Key: InChIKey=YAPWIIJGUPEETK-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 = 50165474   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50165474 (3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl...) Show SMILES CC(=O)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H14N2O3/c1-11(20)22-13-6-4-5-12(9-13)10-16-14-7-2-3-8-15(14)17(21)19-18-16/h2-9H,10H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50165474 (3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl...) Show SMILES CC(=O)Oc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H14N2O3/c1-11(20)22-13-6-4-5-12(9-13)10-16-14-7-2-3-8-15(14)17(21)19-18-16/h2-9H,10H2,1H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Horsham Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1)				Bioorg Med Chem Lett 15: 2235-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.026 BindingDB Entry DOI: 10.7270/Q2QV3M0B
					More data for this Ligand-Target Pair