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BDBM231157 US9340549, 177

SMILES: CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@H]1c1ccccc1

InChI Key: InChIKey=GMFHBMQVCNYFGB-MNNMKWMVSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 231157   
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))		BDBM231157
PNG
(US9340549, 177)
Show SMILES CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@H]1c1ccccc1 |r,wU:22.26,7.6,(-7.13,-1.48,;-6.36,-.14,;-7.69,-.91,;-6.83,1.32,;-5.59,2.23,;-5.59,3.77,;-4.34,1.32,;-2.85,1.72,;-2.08,3.05,;-.75,2.28,;-1.52,.95,;.74,2.68,;1.21,4.15,;2.75,4.15,;3.23,2.68,;1.98,1.78,;4.72,2.28,;5.11,.79,;6.6,.4,;7.69,1.49,;7.29,2.97,;5.81,3.37,;-4.82,-.14,;-4.05,-1.48,;-4.82,-2.81,;-4.05,-4.15,;-2.51,-4.15,;-1.74,-2.81,;-2.51,-1.48,)|
Show InChI InChI=1S/C23H23N3O3/c1-23(2)19(15-9-5-3-6-10-15)26(22(27)29-23)18-13-17(14-18)21-25-24-20(28-21)16-11-7-4-8-12-16/h3-12,17-19H,13-14H2,1-2H3/t17?,18-,19-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+3n/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