null

SMILES: Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 259566   

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 [1091-1325] (Homo sapiens (Human))	BDBM259566 (US9505749, 77) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(10.67,-3.47,;9.34,-2.69,;8,-3.47,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.67,-3.47,;-4,-2.69,;-4,-1.15,;-5.33,-.38,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-10.67,-.38,;-10.67,1.15,;-9.34,1.93,;-8,1.15,;-6.67,1.93,;-6.67,3.47,;-5.33,1.15,;8,-.38,;9.34,-1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.37	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM259566 (US9505749, 77) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(10.67,-3.47,;9.34,-2.69,;8,-3.47,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.67,-3.47,;-4,-2.69,;-4,-1.15,;-5.33,-.38,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-10.67,-.38,;-10.67,1.15,;-9.34,1.93,;-8,1.15,;-6.67,1.93,;-6.67,3.47,;-5.33,1.15,;8,-.38,;9.34,-1.15,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM259566 (US9505749, 77) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(10.67,-3.47,;9.34,-2.69,;8,-3.47,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.67,-3.47,;-4,-2.69,;-4,-1.15,;-5.33,-.38,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-10.67,-.38,;-10.67,1.15,;-9.34,1.93,;-8,1.15,;-6.67,1.93,;-6.67,3.47,;-5.33,1.15,;8,-.38,;9.34,-1.15,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259566 (US9505749, 77) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(10.67,-3.47,;9.34,-2.69,;8,-3.47,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.67,-3.47,;-4,-2.69,;-4,-1.15,;-5.33,-.38,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-10.67,-.38,;-10.67,1.15,;-9.34,1.93,;-8,1.15,;-6.67,1.93,;-6.67,3.47,;-5.33,1.15,;8,-.38,;9.34,-1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.601	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair