BDBM50120270 3-(2,4-Dioxo-2,3,4,5,10,11-hexahydro-cyclononapyrimidin-1-yl)-N-[2-oxo-2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl]-propionamide::CHEMBL326451

SMILES: O=C(CCn1c2CC\C=C/C=C\Cc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1

InChI Key: InChIKey=FQHWUSKEUCAPCT-CCAGOZQPSA-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 = 50120270   

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))	BDBM50120270 (3-(2,4-Dioxo-2,3,4,5,10,11-hexahydro-cyclononapyri...) Show SMILES O=C(CCn1c2CC\C=C/C=C\Cc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 |c:8,10| Show InChI InChI=1S/C24H29N7O4/c32-20(27-17-21(33)29-13-15-30(16-14-29)23-25-10-6-11-26-23)9-12-31-19-8-5-3-1-2-4-7-18(19)22(34)28-24(31)35/h1-4,6,10-11H,5,7-9,12-17H2,(H,27,32)(H,28,34,35)/b3-1-,4-2-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	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