BDBM259599 US9505749, 112

SMILES: Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1

InChI Key:

Data: 3 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 3 hits for monomerid = 259599   

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
Tankyrase-1 (Homo sapiens (Human))	BDBM259599 (US9505749, 112) Show SMILES Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1 |r,wU:10.13,wD:7.6,(4,-5,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;2.67,1.93,;2.67,.38,;4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;5.33,-2.69,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.224	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 1 (Homo sapiens (Human))	BDBM259599 (US9505749, 112) Show SMILES Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1 |r,wU:10.13,wD:7.6,(4,-5,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;2.67,1.93,;2.67,.38,;4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;5.33,-2.69,)| Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>8.50E+4	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
Tankyrase-2 (Homo sapiens (Human))	BDBM259599 (US9505749, 112) Show SMILES Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1 |r,wU:10.13,wD:7.6,(4,-5,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;2.67,1.93,;2.67,.38,;4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;5.33,-2.69,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.264	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