BDBM50020635 CHEMBL3290485

SMILES: NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCCCN2CCOCC2)cc1

InChI Key: InChIKey=CURYXPUPJGUGJZ-HKWRFOASSA-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 = 50020635   

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))	BDBM50020635 (CHEMBL3290485) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C23H24N2O5/c24-23(27)19-4-1-3-18-21(26)20(30-22(18)19)15-16-5-7-17(8-6-16)29-12-2-9-25-10-13-28-14-11-25/h1,3-8,15H,2,9-14H2,(H2,24,27)/b20-15-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	718	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