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SMILES: CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccc(C)s1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579972   

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))	BDBM50579972 (CHEMBL5091214 | US11926614, Example 84) Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(36.79,-41.23,;37.68,-40,;39.2,-40.16,;40.1,-38.92,;41.62,-39.08,;42.51,-37.85,;41.89,-36.46,;40.37,-36.3,;39.48,-37.53,;42.79,-35.24,;42.31,-33.76,;43.56,-32.85,;44.82,-33.76,;46.29,-33.28,;47.66,-33.98,;48.37,-32.61,;46.99,-31.9,;49.84,-32.13,;50.17,-30.62,;49.01,-29.58,;51.64,-30.14,;51.95,-28.62,;53.42,-28.14,;54.58,-29.17,;54.26,-30.69,;55.4,-31.72,;55.08,-33.23,;56.22,-34.24,;53.61,-33.71,;52.46,-32.68,;52.79,-31.17,;44.34,-35.24,;45.23,-36.47,;44.76,-37.92,;45.99,-38.82,;47.23,-37.92,;48.68,-38.39,;46.76,-36.47,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50579972 (CHEMBL5091214 | US11926614, Example 84) Show SMILES CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(36.79,-41.23,;37.68,-40,;39.2,-40.16,;40.1,-38.92,;41.62,-39.08,;42.51,-37.85,;41.89,-36.46,;40.37,-36.3,;39.48,-37.53,;42.79,-35.24,;42.31,-33.76,;43.56,-32.85,;44.82,-33.76,;46.29,-33.28,;47.66,-33.98,;48.37,-32.61,;46.99,-31.9,;49.84,-32.13,;50.17,-30.62,;49.01,-29.58,;51.64,-30.14,;51.95,-28.62,;53.42,-28.14,;54.58,-29.17,;54.26,-30.69,;55.4,-31.72,;55.08,-33.23,;56.22,-34.24,;53.61,-33.71,;52.46,-32.68,;52.79,-31.17,;44.34,-35.24,;45.23,-36.47,;44.76,-37.92,;45.99,-38.82,;47.23,-37.92,;48.68,-38.39,;46.76,-36.47,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NAD				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01264 BindingDB Entry DOI: 10.7270/Q21R6VDH
					More data for this Ligand-Target Pair