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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene Wnt-3' and Ligand = 'BDBM50294832'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294832
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1ccnc2c(NC(=O)[C@H]3CC[C@H](CN4C(=O)[C@H]5[C@@H]6C[C@@H](C=C6)[C@H]5C4=O)CC3)cccc12 |r,wU:19.19,21.20,10.9,wD:13.13,18.17,24.26,c:22,(7.79,-38.19,;6.46,-37.4,;5.12,-38.16,;3.78,-37.38,;3.8,-35.83,;5.15,-35.08,;5.16,-33.53,;3.83,-32.74,;3.85,-31.2,;5.2,-30.45,;2.53,-30.42,;1.19,-31.17,;-.13,-30.39,;-.11,-28.84,;-1.44,-28.05,;-2.97,-28.05,;-3.88,-26.82,;-3.4,-25.35,;-5.34,-27.29,;-6.67,-26.52,;-6.28,-28.01,;-6.7,-29.49,;-8.01,-28.82,;-8.01,-27.28,;-5.35,-28.83,;-3.88,-29.31,;-3.41,-30.78,;1.23,-28.09,;2.56,-28.88,;6.51,-32.78,;7.83,-33.57,;7.81,-35.11,;6.47,-35.87,)|
Show InChI InChI=1S/C27H29N3O3/c1-15-11-12-28-24-20(15)3-2-4-21(24)29-25(31)17-7-5-16(6-8-17)14-30-26(32)22-18-9-10-19(13-18)23(22)27(30)33/h2-4,9-12,16-19,22-23H,5-8,13-14H2,1H3,(H,29,31)/t16-,17-,18-,19+,22-,23+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair