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BDBM231137 US9340549, 162

SMILES: CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ccccc2n1

InChI Key: InChIKey=NABIBSOWDUWWQD-WOIUINJBSA-N

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 = 231137   
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))		BDBM231137
PNG
(US9340549, 162)
Show SMILES CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ccccc2n1 |r,wU:14.15,wD:7.8,17.22,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,2.75,;-1.05,2.75,;-.28,1.42,;-1.05,.08,;-2.59,.08,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,1.51,;5.94,1.98,;7.27,1.21,;8.61,1.98,;8.61,3.52,;7.27,4.29,;5.94,3.52,;4.47,4,)|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)22(17-8-4-3-5-9-17)29(24(31)32-25)19-13-11-18(12-14-19)26-23(30)20-16-28-15-7-6-10-21(28)27-20/h3-10,15-16,18-19,22H,11-14H2,1-2H3,(H,26,30)/t18-,19-,22-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/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