BDBM27693 3-methyl-5-phenyl-11-thia-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, 20

SMILES: Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CSCc3c12

InChI Key: InChIKey=BLQDESSZWIYFSS-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 = 27693   

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))	BDBM27693 (3-methyl-5-phenyl-11-thia-4,5,7-triazatricyclo[7.3...) Show SMILES Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CSCc3c12 Show InChI InChI=1S/C15H13N3OS/c1-9-13-11-7-20-8-12(11)15(19)16-14(13)18(17-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)	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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