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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 = 'BDBM50294828'   
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))
BDBM50294828
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](CC3)N3C(=O)[C@H]4[C@@H]5C[C@@H](C=C5)[C@H]4C3=O)cccc12 |r,wU:20.21,22.22,10.9,wD:19.19,25.28,13.16,c:24,(7.08,-13.51,;5.54,-13.51,;4.77,-14.84,;3.22,-14.85,;2.45,-13.51,;3.22,-12.18,;2.45,-10.84,;.9,-10.84,;.14,-9.5,;.91,-8.17,;-1.41,-9.5,;-2.17,-10.83,;-3.71,-10.83,;-4.48,-9.49,;-3.71,-8.16,;-2.17,-8.16,;-6.02,-9.49,;-6.93,-8.25,;-6.46,-6.78,;-8.39,-8.73,;-9.72,-7.96,;-9.33,-9.44,;-9.75,-10.92,;-11.06,-10.26,;-11.06,-8.72,;-8.4,-10.27,;-6.93,-10.75,;-6.46,-12.21,;3.22,-9.51,;4.77,-9.51,;5.54,-10.85,;4.77,-12.18,)|
Show InChI InChI=1S/C26H27N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-6,11-12,15-18,21-22H,7-10,13H2,1H3,(H,28,30)/t15-,16-,17+,18-,21-,22+
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 1.00E+3n/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