BDBM50427990 CHEMBL2325502

SMILES: COc1cc(ccn1)-c1nnc(\C=C\c2nnc(-c3ccc(cn3)S(C)(=O)=O)n2-c2ccccc2Cl)o1

InChI Key: InChIKey=YUZGATGNXIWEAT-MDZDMXLPSA-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 = 50427990   

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))	BDBM50427990 (CHEMBL2325502) Show SMILES COc1cc(ccn1)-c1nnc(\C=C\c2nnc(-c3ccc(cn3)S(C)(=O)=O)n2-c2ccccc2Cl)o1 |(21.12,-33.39,;20.81,-34.9,;21.95,-35.93,;23.41,-35.45,;24.55,-36.49,;24.24,-37.99,;22.78,-38.47,;21.64,-37.43,;26.02,-36,;26.5,-34.54,;28.04,-34.54,;28.51,-36.01,;29.97,-36.49,;31.12,-35.46,;32.58,-35.93,;33.06,-37.4,;34.6,-37.4,;35.08,-35.93,;36.53,-35.45,;36.85,-33.95,;38.31,-33.47,;39.46,-34.51,;39.14,-36.01,;37.68,-36.49,;40.93,-34.03,;41.25,-32.52,;42.41,-34.42,;41.33,-35.51,;33.83,-35.03,;33.83,-33.49,;35.17,-32.72,;35.16,-31.17,;33.83,-30.4,;32.5,-31.17,;32.5,-32.72,;31.16,-33.49,;27.27,-36.91,)| Show InChI InChI=1S/C24H18ClN7O4S/c1-35-22-13-15(11-12-26-22)24-31-29-21(36-24)10-9-20-28-30-23(32(20)19-6-4-3-5-17(19)25)18-8-7-16(14-27-18)37(2,33)34/h3-14H,1-2H3/b10-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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
					More data for this Ligand-Target Pair