BDBM50113459 CHEMBL3605971

SMILES: NC(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12

InChI Key: InChIKey=BDTIOERZNDWXLC-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50113459   

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))	BDBM50113459 (CHEMBL3605971) Show SMILES NC(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 Show InChI InChI=1S/C16H14N2O2/c17-15(19)13-8-4-7-12-10-18(16(20)14(12)13)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,17,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair