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SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c(=O)c(c1)-c1ncccn1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 231072   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))		BDBM231072
PNG
(US9340549, 96)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c(=O)c(c1)-c1ncccn1 |r,wU:7.8,wD:14.15,17.22,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 511n/an/an/an/an/a25



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 US9340549 (2016)


BindingDB Entry DOI: 10.7270/Q2SN07VD
More data for this
Ligand-Target Pair