BDBM27699 3,5-diphenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one::ring-fused pyrazolo pyridin-2-one, 26

SMILES: O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCc12)-c1ccccc1

InChI Key: InChIKey=BPRMJDMDKWHNRP-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 = 27699   

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))	BDBM27699 (3,5-diphenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]do...) Show SMILES O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCc12)-c1ccccc1 Show InChI InChI=1S/C21H17N3O/c25-21-17-13-7-12-16(17)18-19(14-8-3-1-4-9-14)23-24(20(18)22-21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,22,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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
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