BDBM103554 STO1131::US8551988, 39

SMILES: CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1

InChI Key: InChIKey=HWTVYWVFOWWESR-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 103554   

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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) (Homo sapiens (Human))	BDBM103554 (STO1131 | US8551988, 39) Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University					Assay Description Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...				ACS Chem Biol 8: 1698-703 (2013) Article DOI: 10.1021/cb4002014 BindingDB Entry DOI: 10.7270/Q2668BS1
					More data for this Ligand-Target Pair				3D Structure (crystal)