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BDBM231135 US9340549, 160

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1nccs1

InChI Key: InChIKey=PKIZPRFMPQSMSM-ULQDDVLXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 231135   
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))		BDBM231135
PNG
(US9340549, 160)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1nccs1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,1.61,;7.27,2.08,;7.27,3.62,;5.81,4.1,)|
Show InChI InChI=1S/C21H25N3O3S/c1-21(2)17(14-6-4-3-5-7-14)24(20(26)27-21)16-10-8-15(9-11-16)23-18(25)19-22-12-13-28-19/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,23,25)/t15-,16-,17-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.46E+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