BDBM50238413 CHEMBL4075167

SMILES: O=C(N1CCCCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1

InChI Key: InChIKey=VAPHZNNLLMUXPK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50238413   

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 tankyrase-1 (Homo sapiens (Human))	BDBM50238413 (CHEMBL4075167) Show SMILES O=C(N1CCCCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C20H19N7O/c28-20(26-12-4-1-5-13-26)14-8-10-15(11-9-14)21-18-19-23-24-25-27(19)17-7-3-2-6-16(17)22-18/h2-3,6-11H,1,4-5,12-13H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced...				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50238413 (CHEMBL4075167) Show SMILES O=C(N1CCCCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C20H19N7O/c28-20(26-12-4-1-5-13-26)14-8-10-15(11-9-14)21-18-19-23-24-25-27(19)17-7-3-2-6-16(17)22-18/h2-3,6-11H,1,4-5,12-13H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
A GlaxoSmithKline Company Curated by ChEMBL					Assay Description Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay				J Med Chem 60: 5455-5471 (2017) Article DOI: 10.1021/acs.jmedchem.7b00137 BindingDB Entry DOI: 10.7270/Q2X350RS
					More data for this Ligand-Target Pair