BDBM50255796 6-Piperidin-1-ylmethyl-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-one::CHEMBL480227

SMILES: O=C1NCCn2c(CN3CCCCC3)cc3cccc1c23

InChI Key: InChIKey=SNFSUXQPFNJBTC-UHFFFAOYSA-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 = 50255796   

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))	BDBM50255796 (6-Piperidin-1-ylmethyl-3,4-dihydro-2H-[1,4]diazepi...) Show SMILES O=C1NCCn2c(CN3CCCCC3)cc3cccc1c23 Show InChI InChI=1S/C17H21N3O/c21-17-15-6-4-5-13-11-14(12-19-8-2-1-3-9-19)20(16(13)15)10-7-18-17/h4-6,11H,1-3,7-10,12H2,(H,18,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair