BDBM50020657 CHEMBL3290490

SMILES: CN1CCN(CCS(=O)(=O)Nc2ccc(\C=C3/Oc4c(cccc4C(N)=O)C3=O)cc2)CC1

InChI Key: InChIKey=CNPCGLWVCNKFLC-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 = 50020657   

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))	BDBM50020657 (CHEMBL3290490) Show SMILES CN1CCN(CCS(=O)(=O)Nc2ccc(\C=C3/Oc4c(cccc4C(N)=O)C3=O)cc2)CC1 Show InChI InChI=1S/C23H26N4O5S/c1-26-9-11-27(12-10-26)13-14-33(30,31)25-17-7-5-16(6-8-17)15-20-21(28)18-3-2-4-19(23(24)29)22(18)32-20/h2-8,15,25H,9-14H2,1H3,(H2,24,29)/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	79	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