BDBM50427992 CHEMBL2325500

SMILES: CS(=O)(=O)c1ccc(nc1)-c1nnc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1-c1ccccc1Cl

InChI Key: InChIKey=NIDNWZWMIAQVNK-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 = 50427992   

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-2 (Homo sapiens (Human))	BDBM50427992 (CHEMBL2325500) Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1-c1ccccc1Cl |(68.61,-24.56,;67.46,-23.53,;67.06,-22.04,;68.55,-22.43,;66,-24.01,;64.84,-22.98,;63.38,-23.46,;63.07,-24.96,;64.21,-25.99,;65.67,-25.52,;61.61,-25.43,;61.13,-26.9,;59.59,-26.9,;59.12,-25.43,;57.65,-24.96,;56.51,-25.99,;55.04,-25.51,;54.57,-24.04,;53.03,-24.04,;52.55,-25.51,;53.8,-26.41,;51.09,-25.99,;49.94,-24.95,;48.48,-25.43,;48.17,-26.94,;46.7,-27.41,;49.31,-27.97,;50.77,-27.49,;60.36,-24.53,;60.37,-22.99,;61.7,-22.22,;61.7,-20.67,;60.36,-19.9,;59.03,-20.67,;59.03,-22.22,;57.7,-22.99,)| Show InChI InChI=1S/C23H16Cl2N6O3S2/c1-36(32,33)16-10-11-18(26-12-16)21-28-30-23(31(21)19-5-3-2-4-17(19)25)35-13-20-27-29-22(34-20)14-6-8-15(24)9-7-14/h2-12H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Oslo University Hospital Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay				J Med Chem 56: 3012-23 (2013) Article DOI: 10.1021/jm4000566 BindingDB Entry DOI: 10.7270/Q2Z60QC0
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