BDBM50120269 CHEMBL322133::N-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-3-(2,4-dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-propionamide

SMILES: Brc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O

InChI Key: InChIKey=BFAMJUVEWRCDMW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50120269   

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))	BDBM50120269 (CHEMBL322133 | N-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-...) Show SMILES Brc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18BrN3O4S/c19-12-3-1-11(2-4-12)15(23)9-20-16(24)5-7-22-14-6-8-27-10-13(14)17(25)21-18(22)26/h1-4H,5-10H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	70	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120269 (CHEMBL322133 | N-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-...) Show SMILES Brc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18BrN3O4S/c19-12-3-1-11(2-4-12)15(23)9-20-16(24)5-7-22-14-6-8-27-10-13(14)17(25)21-18(22)26/h1-4H,5-10H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	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