BDBM50113452 CHEMBL3605977

SMILES: NC(=O)c1cccc2CN(CCN3CCCCC3)C(=O)c12

InChI Key: InChIKey=VWJCDLNJKREQPG-UHFFFAOYSA-N

Data: 1 Kd

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 = 50113452   

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))	BDBM50113452 (CHEMBL3605977) Show SMILES NC(=O)c1cccc2CN(CCN3CCCCC3)C(=O)c12 Show InChI InChI=1S/C16H21N3O2/c17-15(20)13-6-4-5-12-11-19(16(21)14(12)13)10-9-18-7-2-1-3-8-18/h4-6H,1-3,7-11H2,(H2,17,20)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair