BDBM50120255 2-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl]-acetamide::CHEMBL432406

SMILES: O=C(Cn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1

InChI Key: InChIKey=PCIJUCMKYPUTOJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120255   

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))	BDBM50120255 (2-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(Cn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N7O4S/c27-15(11-26-14-2-9-31-12-13(14)17(29)23-19(26)30)22-10-16(28)24-5-7-25(8-6-24)18-20-3-1-4-21-18/h1,3-4H,2,5-12H2,(H,22,27)(H,23,29,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair