BDBM50255501 3-(2,4-dioxo-2,3,4,5,7,8-hexahydro-1H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-(4-(pyridazin-4-yl)phenyl)ethyl)propanamide::CHEMBL480039

SMILES: O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccnnc1

InChI Key: InChIKey=RCKDOULNEPKJHM-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 = 50255501   

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))	BDBM50255501 (3-(2,4-dioxo-2,3,4,5,7,8-hexahydro-1H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccnnc1 Show InChI InChI=1S/C22H21N5O4S/c28-19(15-3-1-14(2-4-15)16-5-8-24-25-11-16)12-23-20(29)6-9-27-18-7-10-32-13-17(18)21(30)26-22(27)31/h1-5,8,11H,6-7,9-10,12-13H2,(H,23,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair