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SMILES: O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3cccc4cnccc34)nc12

InChI Key: InChIKey=ZPVIZUYZEDUMRB-HDICACEKSA-N

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 = 148399   
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
Catenin beta-1/Protein Wnt-3a


(Homo sapiens (Human))		BDBM148399
PNG
(US9682961, 41)
Show SMILES O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3cccc4cnccc34)nc12 |r,wU:4.7,1.0,(8,-3.85,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;6.67,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;,.77,;1.33,1.54,)|
Show InChI InChI=1S/C23H22N4O2/c28-17-7-9-18(10-8-17)29-21-6-2-4-16-14-25-23(27-22(16)21)26-20-5-1-3-15-13-24-12-11-19(15)20/h1-6,11-14,17-18,28H,7-10H2,(H,25,26,27)/t17-,18+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 650n/an/an/an/an/an/a



CARNA BIOSCIENCES, INC.; NATIONAL CANCER CENTER

US Patent


Assay Description
Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplat...

US Patent US9682961 (2017)


BindingDB Entry DOI: 10.7270/Q2K935P5
More data for this
Ligand-Target Pair