BDBM50306283 1-(3-(1,4-diazepane-1-carbonyl)benzoyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one::CHEMBL594975

SMILES: O=C(N1CCc2cccc3C(=O)NCC1c23)c1cccc(c1)C(=O)N1CCCNCC1

InChI Key: InChIKey=ZPQRWSQBYNPWDX-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 = 50306283   

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))	BDBM50306283 (1-(3-(1,4-diazepane-1-carbonyl)benzoyl)-2,3,9,9a-t...) Show SMILES O=C(N1CCc2cccc3C(=O)NCC1c23)c1cccc(c1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H26N4O3/c29-22-19-7-2-4-16-8-12-28(20(15-26-22)21(16)19)24(31)18-6-1-5-17(14-18)23(30)27-11-3-9-25-10-13-27/h1-2,4-7,14,20,25H,3,8-13,15H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
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