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BDBM231121 US9340549, 146

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=HWZBMAPQJNHHRO-BJLQDIEVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 231121   
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))		BDBM231121
PNG
(US9340549, 146)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.84,-.02,;-6.51,.75,;-7.28,-.58,;-6.51,2.29,;-5.05,2.77,;-4.28,4.1,;-4.14,1.52,;-5.05,.27,;-4.65,-1.21,;-5.74,-2.3,;-5.34,-3.79,;-3.85,-4.19,;-2.76,-3.1,;-3.16,-1.61,;-2.6,1.52,;-1.83,2.85,;-.29,2.85,;.48,1.52,;-.29,.19,;-1.83,.19,;2.02,1.52,;2.79,2.85,;2.02,4.19,;4.33,2.85,;5.23,4.1,;6.7,3.62,;6.7,2.08,;7.84,1.05,;7.52,-.45,;6.06,-.93,;4.91,.1,;5.23,1.61,)|
Show InChI InChI=1S/C24H27N5O3/c1-24(2)20(16-7-4-3-5-8-16)29(23(31)32-24)18-11-9-17(10-12-18)27-22(30)19-15-26-28-14-6-13-25-21(19)28/h3-8,13-15,17-18,20H,9-12H2,1-2H3,(H,27,30)/t17-,18-,20-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 9.18n/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