BDBM50020624 CHEMBL3290474

SMILES: NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(O)c1

InChI Key: InChIKey=KJKXFRNMGQRVHA-JYRVWZFOSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020624   

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))	BDBM50020624 (CHEMBL3290474) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(O)c1 Show InChI InChI=1S/C16H11NO4/c17-16(20)12-6-2-5-11-14(19)13(21-15(11)12)8-9-3-1-4-10(18)7-9/h1-8,18H,(H2,17,20)/b13-8-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+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