null

SMILES: Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1C#N

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 259553   

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))	BDBM259553 (US9505749, 64) Show SMILES Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:5.4,wD:8.11,(5.33,-7.7,;5.33,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,3.08,;1.33,3.85,;1.33,5.39,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-8,3.08,;-9.34,3.85,;-9.34,5.39,;-8,6.16,;-6.67,5.39,;-5.33,6.16,;-5.33,7.7,;-4,5.39,;5.33,-3.08,;6.67,-3.85,;6.67,-5.39,;8,-6.16,;9.34,-6.93,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05	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))	BDBM259553 (US9505749, 64) Show SMILES Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:5.4,wD:8.11,(5.33,-7.7,;5.33,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,3.08,;1.33,3.85,;1.33,5.39,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-8,3.08,;-9.34,3.85,;-9.34,5.39,;-8,6.16,;-6.67,5.39,;-5.33,6.16,;-5.33,7.7,;-4,5.39,;5.33,-3.08,;6.67,-3.85,;6.67,-5.39,;8,-6.16,;9.34,-6.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	288	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))	BDBM259553 (US9505749, 64) Show SMILES Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:5.4,wD:8.11,(5.33,-7.7,;5.33,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,3.08,;1.33,3.85,;1.33,5.39,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-8,3.08,;-9.34,3.85,;-9.34,5.39,;-8,6.16,;-6.67,5.39,;-5.33,6.16,;-5.33,7.7,;-4,5.39,;5.33,-3.08,;6.67,-3.85,;6.67,-5.39,;8,-6.16,;9.34,-6.93,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	257	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))	BDBM259553 (US9505749, 64) Show SMILES Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:5.4,wD:8.11,(5.33,-7.7,;5.33,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,3.08,;1.33,3.85,;1.33,5.39,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-8,3.08,;-9.34,3.85,;-9.34,5.39,;-8,6.16,;-6.67,5.39,;-5.33,6.16,;-5.33,7.7,;-4,5.39,;5.33,-3.08,;6.67,-3.85,;6.67,-5.39,;8,-6.16,;9.34,-6.93,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	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