BDBM50020616 CHEMBL3290466

SMILES: NC(=O)c1nn(CCCN2C(=O)C(=O)c3ccccc23)c2ccccc12

InChI Key: InChIKey=HBBPSNQKRMZELJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50020616   

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))	BDBM50020616 (CHEMBL3290466) Show SMILES NC(=O)c1nn(CCCN2C(=O)C(=O)c3ccccc23)c2ccccc12 Show InChI InChI=1S/C19H16N4O3/c20-18(25)16-12-6-1-4-9-15(12)23(21-16)11-5-10-22-14-8-3-2-7-13(14)17(24)19(22)26/h1-4,6-9H,5,10-11H2,(H2,20,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair