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BDBM231116 US9340549, 141

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1

InChI Key: InChIKey=AYWLEGTUXRINBE-ACRUOGEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 231116   
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
Tankyrase-1


(Homo sapiens (Human))		BDBM231116
PNG
(US9340549, 141)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:17.22,7.8,wD:14.15,(-7.16,3.08,;-5.83,2.31,;-7.16,1.54,;-4.92,3.56,;-3.46,3.08,;-2.13,3.85,;-3.46,1.54,;-4.92,1.06,;-5.32,-.42,;-6.81,-.82,;-7.21,-2.31,;-6.12,-3.4,;-4.63,-3,;-4.23,-1.51,;-2.13,.77,;-2.13,-.77,;-.79,-1.54,;.54,-.77,;.54,.77,;-.79,1.54,;1.87,-1.54,;3.21,-.77,;3.21,.77,;4.54,-1.54,;4.54,-3.08,;5.88,-3.85,;7.21,-3.08,;7.21,-1.54,;5.88,-.77,)|
Show InChI InChI=1S/C24H28N2O3/c1-24(2)21(17-9-5-3-6-10-17)26(23(28)29-24)20-15-13-19(14-16-20)25-22(27)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3,(H,25,27)/t19-,20-,21-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 755n/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