BDBM50360932 CHEMBL1935263

SMILES: CCN(CC)C(=O)CCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1

InChI Key: InChIKey=XWLPNKSIHBKGCZ-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 = 50360932   

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))	BDBM50360932 (CHEMBL1935263) Show SMILES CCN(CC)C(=O)CCC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1 Show InChI InChI=1S/C25H25N3O4/c1-3-28(4-2)19(30)11-10-18(29)13-8-9-17-16(12-13)20-22-21(24(31)27-25(22)32)14-6-5-7-15(14)23(20)26-17/h8-9,12,26H,3-7,10-11H2,1-2H3,(H,27,31,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP1 by in vitro assay				Bioorg Med Chem Lett 22: 222-4 (2011) Article DOI: 10.1016/j.bmcl.2011.11.032 BindingDB Entry DOI: 10.7270/Q2X92BQD
					More data for this Ligand-Target Pair