BDBM50020649 CHEMBL3290488

SMILES: NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCC(O)CN2CCOCC2)cc1

InChI Key: InChIKey=LORVZILRIYUQII-NDENLUEZSA-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 = 50020649   

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))	BDBM50020649 (CHEMBL3290488) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCC(O)CN2CCOCC2)cc1 Show InChI InChI=1S/C23H24N2O6/c24-23(28)19-3-1-2-18-21(27)20(31-22(18)19)12-15-4-6-17(7-5-15)30-14-16(26)13-25-8-10-29-11-9-25/h1-7,12,16,26H,8-11,13-14H2,(H2,24,28)/b20-12-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	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