BDBM50438606 CHEMBL2414052

SMILES: CC(C)Cc1cc2c(N)cccc2c(=O)[nH]1

InChI Key: InChIKey=AONLVMGYUQMXFQ-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 = 50438606   

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))	BDBM50438606 (CHEMBL2414052) Show SMILES CC(C)Cc1cc2c(N)cccc2c(=O)[nH]1 Show InChI InChI=1S/C13H16N2O/c1-8(2)6-9-7-11-10(13(16)15-9)4-3-5-12(11)14/h3-5,7-8H,6,14H2,1-2H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay				Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D
					More data for this Ligand-Target Pair