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BDBM231079 US9340549, 104

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)cc(F)c2[nH]c1=O

InChI Key:

Data: 1 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 1 hit for monomerid = 231079   
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))
BDBM231079
PNG
(US9340549, 104)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)cc(F)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.43,.02,;-6.1,.79,;-6.87,-.54,;-6.1,2.33,;-4.63,2.81,;-3.86,4.14,;-3.73,1.56,;-4.63,.32,;-4.24,-1.17,;-5.32,-2.26,;-4.93,-3.75,;-3.44,-4.14,;-2.35,-3.05,;-2.75,-1.57,;-2.19,1.56,;-1.42,2.9,;.12,2.9,;.89,1.56,;.12,.23,;-1.42,.23,;2.43,1.56,;3.34,.32,;3.02,-1.19,;4.16,-2.22,;3.76,-3.71,;5.63,-1.74,;5.95,-.24,;7.43,.16,;4.8,.79,;4.8,2.33,;3.34,2.81,;2.57,4.14,)|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 93n/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