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SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc[nH]c2n1

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 = 231122   
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))
BDBM231122
PNG
(US9340549, 147)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc[nH]c2n1 |r,wU:7.8,17.22,wD:14.15,(-8.46,-.59,;-7.13,.18,;-7.9,-1.16,;-7.13,1.72,;-5.66,2.19,;-4.89,3.53,;-4.76,.95,;-5.66,-.3,;-5.26,-1.79,;-6.35,-2.87,;-5.95,-4.36,;-4.47,-4.76,;-3.38,-3.67,;-3.78,-2.18,;-3.22,.95,;-2.45,-.39,;-.91,-.39,;-.14,.95,;-.91,2.28,;-2.45,2.28,;1.4,.95,;2.17,2.28,;1.4,3.62,;3.71,2.28,;4.48,.95,;6.02,.95,;6.79,2.28,;8.3,2.6,;8.46,4.13,;7.05,4.76,;6.02,3.62,;4.48,3.62,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26.4n/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