BDBM27701 5-methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one::ring-fused pyrazolo pyridin-2-one, 28

SMILES: Cn1nc(-c2ccccc2)c2c3CCCCc3c(=O)[nH]c12

InChI Key: InChIKey=ATWNWCGXZSMGSM-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 = 27701   

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))	BDBM27701 (5-methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,...) Show SMILES Cn1nc(-c2ccccc2)c2c3CCCCc3c(=O)[nH]c12 Show InChI InChI=1S/C17H17N3O/c1-20-16-14(15(19-20)11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(21)18-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair