BDBM50445970 CHEMBL3105890

SMILES: NC(=O)n1ccc2ccc(nc12)N1CCCC1

InChI Key: InChIKey=ZQMRIPYRCXFVCV-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 = 50445970   

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))	BDBM50445970 (CHEMBL3105890) Show SMILES NC(=O)n1ccc2ccc(nc12)N1CCCC1 Show InChI InChI=1S/C12H14N4O/c13-12(17)16-8-5-9-3-4-10(14-11(9)16)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H2,13,17)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay				Bioorg Med Chem 22: 1089-103 (2014) Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4
					More data for this Ligand-Target Pair