null

SMILES: Clc1ccc(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 = 259568   

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))	BDBM259568 (US9505749, 79) Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(11.34,-2.31,;10,-1.54,;8.67,-2.31,;7.34,-1.54,;7.34,,;6,.77,;4.67,,;3.33,.77,;2,,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-7.34,-2.31,;-8.67,-1.54,;-10,-2.31,;-11.34,-1.54,;-11.34,,;-10,.77,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,,;8.67,.77,;10,,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.85	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))	BDBM259568 (US9505749, 79) Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(11.34,-2.31,;10,-1.54,;8.67,-2.31,;7.34,-1.54,;7.34,,;6,.77,;4.67,,;3.33,.77,;2,,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-7.34,-2.31,;-8.67,-1.54,;-10,-2.31,;-11.34,-1.54,;-11.34,,;-10,.77,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,,;8.67,.77,;10,,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	292	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))	BDBM259568 (US9505749, 79) Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(11.34,-2.31,;10,-1.54,;8.67,-2.31,;7.34,-1.54,;7.34,,;6,.77,;4.67,,;3.33,.77,;2,,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-7.34,-2.31,;-8.67,-1.54,;-10,-2.31,;-11.34,-1.54,;-11.34,,;-10,.77,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,,;8.67,.77,;10,,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.55E+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))	BDBM259568 (US9505749, 79) Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(11.34,-2.31,;10,-1.54,;8.67,-2.31,;7.34,-1.54,;7.34,,;6,.77,;4.67,,;3.33,.77,;2,,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-7.34,-2.31,;-8.67,-1.54,;-10,-2.31,;-11.34,-1.54,;-11.34,,;-10,.77,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,,;8.67,.77,;10,,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.614	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