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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'amatruda' and Initial = 'jf'   
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
Protein Wnt-2


(Mus musculus (Mouse))
BDBM36414
PNG
(CID15993586 | trans-N-Benzyl-4-((1-((2-cyanophenyl...)
Show SMILES [H][C@]1(Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)CC[C@@]([H])(CC1)C(=O)NCc1ccccc1 |r,wU:1.1,26.29,wD:1.0,26.33,(-1.18,-1.6,;0,-2.59,;-1.54,-2.59,;-2.31,-1.26,;-3.85,-1.26,;-4.61,-2.59,;-4.62,.07,;-6.15,.07,;-6.92,1.4,;-6.15,2.74,;-6.92,4.07,;-8.46,4.07,;-9.23,2.74,;-8.46,1.4,;-9.23,.07,;-10,-1.26,;-3.85,1.41,;-4.62,2.74,;-3.85,4.08,;-2.31,4.08,;-1.54,2.74,;-2.31,1.41,;-1.54,.07,;,.07,;.77,-1.25,;2.31,-1.25,;3.08,-2.59,;3.94,-3.87,;2.31,-3.92,;.77,-3.92,;4.62,-2.59,;5.38,-1.26,;5.38,-3.92,;6.92,-3.92,;7.69,-2.59,;6.92,-1.25,;7.69,.08,;9.23,.08,;10,-1.25,;9.23,-2.59,)|
Show InChI InChI=1S/C31H30N4O3/c32-18-25-10-4-5-11-26(25)21-34-28-13-7-6-12-27(28)30(37)35(31(34)38)20-23-14-16-24(17-15-23)29(36)33-19-22-8-2-1-3-9-22/h1-13,23-24H,14-17,19-21H2,(H,33,36)/t23-,24-
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n/an/a 25n/an/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein ('exogenous Wnt' test)


Nat Chem Biol 5: 100-7 (2009)


Article DOI: 10.1038/nchembio.137
BindingDB Entry DOI: 10.7270/Q2HX1B20
More data for this
Ligand-Target Pair
Protein Wnt-2


(Mus musculus (Mouse))
BDBM36412
PNG
(CID25093486 | N-(4-Methylquinolin-8-yl)-4-(endo-4-...)
Show SMILES [H][C@]12C[C@]([H])(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)C(=O)Nc1cccc2c(C)ccnc12 |c:5|
Show InChI InChI=1S/C26H21N3O3/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/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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n/an/a 27n/an/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein ('exogenous Wnt' test)


Nat Chem Biol 5: 100-7 (2009)


Article DOI: 10.1038/nchembio.137
BindingDB Entry DOI: 10.7270/Q2HX1B20
More data for this
Ligand-Target Pair
Protein Wnt-2


(Mus musculus (Mouse))
BDBM36413
PNG
(CID15995771 | trans-N-Benzyl-4-((1-((6-methyl-4-ox...)
Show SMILES [H][C@]1(Cn2c(=O)n(Cc3cc(=O)n4c(C)cccc4n3)c3ccccc3c2=O)CC[C@@]([H])(CC1)C(=O)NCc1ccccc1 |r,wU:1.1,30.34,wD:1.0,30.38,(-.8,-3.01,;.38,-4,;-1.16,-4,;-1.92,-2.67,;-3.46,-2.67,;-4.23,-4,;-4.23,-1.33,;-5.77,-1.33,;-6.54,-0,;-8.08,-0,;-8.85,1.33,;-10.38,1.33,;-8.08,2.66,;-8.85,4,;-10.38,4,;-8.08,5.33,;-6.54,5.33,;-5.77,4,;-6.54,2.66,;-5.77,1.33,;-3.46,0,;-4.23,1.33,;-3.46,2.67,;-1.92,2.67,;-1.15,1.33,;-1.92,0,;-1.15,-1.33,;.38,-1.33,;1.15,-2.66,;2.69,-2.66,;3.46,-4,;4.33,-5.27,;2.69,-5.33,;1.15,-5.33,;5,-4,;5.77,-2.67,;5.77,-5.33,;7.3,-5.33,;8.07,-4,;7.3,-2.66,;8.07,-1.33,;9.61,-1.33,;10.38,-2.66,;9.61,-4,)|
Show InChI InChI=1S/C33H33N5O4/c1-22-8-7-13-29-35-26(18-30(39)38(22)29)21-36-28-12-6-5-11-27(28)32(41)37(33(36)42)20-24-14-16-25(17-15-24)31(40)34-19-23-9-3-2-4-10-23/h2-13,18,24-25H,14-17,19-21H2,1H3,(H,34,40)/t24-,25-
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n/an/a 40n/an/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein ('exogenous Wnt' test)


Nat Chem Biol 5: 100-7 (2009)


Article DOI: 10.1038/nchembio.137
BindingDB Entry DOI: 10.7270/Q2HX1B20
More data for this
Ligand-Target Pair
Protein Wnt-2


(Mus musculus (Mouse))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:6|
Show InChI InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 58n/an/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein ('exogenous Wnt' test)


Nat Chem Biol 5: 100-7 (2009)


Article DOI: 10.1038/nchembio.137
BindingDB Entry DOI: 10.7270/Q2HX1B20
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294787
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1ccc2cccnc2c1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:30|
Show InChI InChI=1S/C26H21N3O3/c1-14-4-5-15-3-2-12-27-23(15)22(14)28-24(30)16-8-10-19(11-9-16)29-25(31)20-17-6-7-18(13-17)21(20)26(29)32/h2-12,17-18,31-32H,13H2,1H3,(H,28,30)/t17-,18+
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n/an/an/an/a 800n/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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294788
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCc2cccnc12 |r,c:6|
Show InChI InChI=1S/C25H23N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h2,4,6-12,16-17,19,30-31H,1,3,5,13H2,(H,27,29)/t16-,17+,19?
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n/an/an/an/a 1.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294789
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES COc1ccccc1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:26|
Show InChI InChI=1S/C23H20N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h2-11,14-15,27-28H,12H2,1H3,(H,24,26)/t14-,15+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294790
PNG
(4-((1R,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1 |r,c:6|
Show InChI InChI=1S/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,26-27H,12H2,(H,23,25)/t14-,15-/m0/s1
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294791
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1F |r,c:6|
Show InChI InChI=1S/C22H17FN2O3/c23-16-3-1-2-4-17(16)24-20(26)12-7-9-15(10-8-12)25-21(27)18-13-5-6-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294792
PNG
(CHEMBL550569 | N-(2-Chloro-phenyl)-4-((1R,2S,6R,7S...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1Cl |r,c:6|
Show InChI InChI=1S/C22H17ClN2O3/c23-16-3-1-2-4-17(16)24-20(26)12-7-9-15(10-8-12)25-21(27)18-13-5-6-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294793
PNG
(CHEMBL565166 | N-(2-Bromo-phenyl)-4-((1R,2S,6R,7S)...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1Br |r,c:6|
Show InChI InChI=1S/C22H17BrN2O3/c23-16-3-1-2-4-17(16)24-20(26)12-7-9-15(10-8-12)25-21(27)18-13-5-6-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294794
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc(F)c1 |r,c:6|
Show InChI InChI=1S/C22H17FN2O3/c23-15-2-1-3-16(11-15)24-20(26)12-6-8-17(9-7-12)25-21(27)18-13-4-5-14(10-13)19(18)22(25)28/h1-9,11,13-14,27-28H,10H2,(H,24,26)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294795
PNG
(CHEMBL565180 | N-(3-Chloro-phenyl)-4-((1R,2S,6R,7S...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc(Cl)c1 |r,c:6|
Show InChI InChI=1S/C22H17ClN2O3/c23-15-2-1-3-16(11-15)24-20(26)12-6-8-17(9-7-12)25-21(27)18-13-4-5-14(10-13)19(18)22(25)28/h1-9,11,13-14,27-28H,10H2,(H,24,26)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294796
PNG
(CHEMBL552187 | N-(3-Bromo-phenyl)-4-((1R,2S,6R,7S)...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc(Br)c1 |r,c:6|
Show InChI InChI=1S/C22H17BrN2O3/c23-15-2-1-3-16(11-15)24-20(26)12-6-8-17(9-7-12)25-21(27)18-13-4-5-14(10-13)19(18)22(25)28/h1-9,11,13-14,27-28H,10H2,(H,24,26)/t13-,14+
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n/an/an/an/a 9.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294797
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(F)cc1 |r,c:6|
Show InChI InChI=1S/C22H17FN2O3/c23-15-5-7-16(8-6-15)24-20(26)12-3-9-17(10-4-12)25-21(27)18-13-1-2-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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n/an/an/an/a 4.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294798
PNG
(CHEMBL560712 | N-(4-Chloro-phenyl)-4-((1R,2S,6R,7S...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1 |r,c:6|
Show InChI InChI=1S/C22H17ClN2O3/c23-15-5-7-16(8-6-15)24-20(26)12-3-9-17(10-4-12)25-21(27)18-13-1-2-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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n/an/an/an/a 3.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294799
PNG
(CHEMBL551249 | N-(4-Bromo-phenyl)-4-((1R,2S,6R,7S)...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 |r,c:6|
Show InChI InChI=1S/C22H17BrN2O3/c23-15-5-7-16(8-6-15)24-20(26)12-3-9-17(10-4-12)25-21(27)18-13-1-2-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294800
PNG
(CHEMBL563347 | N-(2,3-Difluoro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc(F)c1F |r,c:6|
Show InChI InChI=1S/C22H16F2N2O3/c23-15-2-1-3-16(19(15)24)25-20(27)11-6-8-14(9-7-11)26-21(28)17-12-4-5-13(10-12)18(17)22(26)29/h1-9,12-13,28-29H,10H2,(H,25,27)/t12-,13+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294801
PNG
(CHEMBL550093 | N-(2,4-Difluoro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(F)cc1F |r,c:6|
Show InChI InChI=1S/C22H16F2N2O3/c23-14-5-8-17(16(24)10-14)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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n/an/an/an/a 9.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294802
PNG
(CHEMBL561779 | N-(2,4-Dichloro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1Cl |r,c:6|
Show InChI InChI=1S/C22H16Cl2N2O3/c23-14-5-8-17(16(24)10-14)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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n/an/an/an/a 1.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294803
PNG
(CHEMBL549767 | N-(2,4-Dibromo-phenyl)-4-((1R,2S,6R...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1Br |r,c:6|
Show InChI InChI=1S/C22H16Br2N2O3/c23-14-5-8-17(16(24)10-14)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294804
PNG
(CHEMBL555120 | N-(2,5-Difluoro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cc(F)ccc1F |r,c:6|
Show InChI InChI=1S/C22H16F2N2O3/c23-14-5-8-16(24)17(10-14)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294805
PNG
(CHEMBL562252 | N-(2,6-Difluoro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1c(F)cccc1F |r,c:6|
Show InChI InChI=1S/C22H16F2N2O3/c23-15-2-1-3-16(24)19(15)25-20(27)11-6-8-14(9-7-11)26-21(28)17-12-4-5-13(10-12)18(17)22(26)29/h1-9,12-13,28-29H,10H2,(H,25,27)/t12-,13+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294806
PNG
(CHEMBL564614 | N-(3,4-Difluoro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(F)c(F)c1 |r,c:6|
Show InChI InChI=1S/C22H16F2N2O3/c23-16-8-5-14(10-17(16)24)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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n/an/an/an/a 3.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294807
PNG
(CHEMBL563015 | N-(3,4-Dichloro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,c:6|
Show InChI InChI=1S/C22H16Cl2N2O3/c23-16-8-5-14(10-17(16)24)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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n/an/an/an/a 5.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294808
PNG
(CHEMBL554302 | N-(3,4-Dibromo-phenyl)-4-((1R,2S,6R...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)c(Br)c1 |r,c:6|
Show InChI InChI=1S/C22H16Br2N2O3/c23-16-8-5-14(10-17(16)24)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h1-8,10,12-13,28-29H,9H2,(H,25,27)/t12-,13+
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n/an/an/an/a 1.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294809
PNG
(CHEMBL561247 | N-(3,5-Difluoro-phenyl)-4-((1R,2S,6...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cc(F)cc(F)c1 |r,c:6|
Show InChI InChI=1S/C22H16F2N2O3/c23-14-8-15(24)10-16(9-14)25-20(27)11-3-5-17(6-4-11)26-21(28)18-12-1-2-13(7-12)19(18)22(26)29/h1-6,8-10,12-13,28-29H,7H2,(H,25,27)/t12-,13+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294810
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1C(F)(F)F |r,c:6|
Show InChI InChI=1S/C23H17F3N2O3/c24-23(25,26)16-3-1-2-4-17(16)27-20(29)12-7-9-15(10-8-12)28-21(30)18-13-5-6-14(11-13)19(18)22(28)31/h1-10,13-14,30-31H,11H2,(H,27,29)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294811
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F |r,c:6|
Show InChI InChI=1S/C23H17F3N2O3/c24-23(25,26)15-2-1-3-16(11-15)27-20(29)12-6-8-17(9-7-12)28-21(30)18-13-4-5-14(10-13)19(18)22(28)31/h1-9,11,13-14,30-31H,10H2,(H,27,29)/t13-,14+
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n/an/an/an/a 2.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294812
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F |r,c:6|
Show InChI InChI=1S/C23H17F3N2O3/c24-23(25,26)15-5-7-16(8-6-15)27-20(29)12-3-9-17(10-4-12)28-21(30)18-13-1-2-14(11-13)19(18)22(28)31/h1-10,13-14,30-31H,11H2,(H,27,29)/t13-,14+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294813
PNG
(CHEMBL560509 | N-Benzyl-4-((1R,2S,6R,7S)-3,5-dioxo...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccccc1 |r,c:6|
Show InChI InChI=1S/C23H20N2O3/c26-21(24-13-14-4-2-1-3-5-14)15-8-10-18(11-9-15)25-22(27)19-16-6-7-17(12-16)20(19)23(25)28/h1-11,16-17,27-28H,12-13H2,(H,24,26)/t16-,17+
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n/an/an/an/a 2.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294814
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccccn1 |r,c:6|
Show InChI InChI=1S/C22H19N3O3/c26-20(24-12-16-3-1-2-10-23-16)13-6-8-17(9-7-13)25-21(27)18-14-4-5-15(11-14)19(18)22(25)28/h1-10,14-15,27-28H,11-12H2,(H,24,26)/t14-,15+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294815
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1cccnc1 |r,c:6|
Show InChI InChI=1S/C22H19N3O3/c26-20(24-12-13-2-1-9-23-11-13)14-5-7-17(8-6-14)25-21(27)18-15-3-4-16(10-15)19(18)22(25)28/h1-9,11,15-16,27-28H,10,12H2,(H,24,26)/t15-,16+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294816
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccncc1 |r,c:6|
Show InChI InChI=1S/C22H19N3O3/c26-20(24-12-13-7-9-23-10-8-13)14-3-5-17(6-4-14)25-21(27)18-15-1-2-16(11-15)19(18)22(25)28/h1-10,15-16,27-28H,11-12H2,(H,24,26)/t15-,16+
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n/an/an/an/a 1.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294817
PNG
(CHEMBL549349 | trans-4-((1R,2S,6R,7S)-3,5-Dioxo-4-...)
Show SMILES CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:26|
Show InChI InChI=1S/C23H26N2O4/c1-29-18-5-3-2-4-17(18)24-21(26)13-8-10-16(11-9-13)25-22(27)19-14-6-7-15(12-14)20(19)23(25)28/h6-11,14-15,17-18,27-28H,2-5,12H2,1H3,(H,24,26)/t14-,15+,17-,18-/m1/s1
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n/an/an/an/a 2.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294818
PNG
(CHEMBL551447 | trans-4-((1R,2S,6R,7S)-3,5-Dioxo-4-...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:25|
Show InChI InChI=1S/C22H24N2O4/c25-17-4-2-1-3-16(17)23-20(26)12-7-9-15(10-8-12)24-21(27)18-13-5-6-14(11-13)19(18)22(24)28/h5-10,13-14,16-17,25,27-28H,1-4,11H2,(H,23,26)/t13-,14+,16-,17-/m0/s1
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294819
PNG
(CHEMBL564157 | N-Cyclohexyl-4-((1R,2S,6R,7S)-3,5-d...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCCC1 |r,c:6|
Show InChI InChI=1S/C22H24N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h6-11,14-16,26-27H,1-5,12H2,(H,23,25)/t14-,15+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294820
PNG
(3-Chloro-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1Cl)C(=O)Nc1cccc2cccnc12 |r,wU:5.4,3.3,c:6,(16.25,-29.68,;15.78,-28.22,;14.31,-27.74,;12.96,-28.39,;13.38,-26.91,;12.99,-25.43,;11.65,-26.19,;11.65,-27.73,;14.32,-26.2,;15.78,-25.72,;16.26,-24.25,;16.69,-26.96,;18.23,-26.96,;19.01,-28.3,;20.54,-28.3,;21.31,-26.97,;20.55,-25.63,;19.01,-25.63,;18.24,-24.29,;22.85,-26.97,;23.63,-25.64,;23.62,-28.31,;25.16,-28.27,;25.9,-26.92,;27.43,-26.88,;28.24,-28.19,;27.5,-29.55,;28.3,-30.86,;27.58,-32.21,;26.03,-32.25,;25.23,-30.94,;25.96,-29.59,)|
Show InChI InChI=1S/C25H18ClN3O3/c26-17-12-16(23(30)28-18-5-1-3-13-4-2-10-27-22(13)18)8-9-19(17)29-24(31)20-14-6-7-15(11-14)21(20)25(29)32/h1-10,12,14-15,31-32H,11H2,(H,28,30)/t14-,15+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294821
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1cc(ccc1-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O)C(=O)Nc1cccc2cccnc12 |r,wU:13.13,11.12,c:15,(-4.62,-35.31,;-3.86,-36.65,;-2.32,-36.66,;-1.55,-37.99,;-2.32,-39.33,;-3.86,-39.33,;-4.63,-37.99,;-6.17,-37.98,;-7.08,-39.24,;-6.61,-40.71,;-8.55,-38.76,;-9.9,-39.42,;-9.48,-37.94,;-9.87,-36.45,;-11.21,-37.21,;-11.21,-38.75,;-8.55,-37.22,;-7.08,-36.75,;-6.61,-35.28,;-.01,-38,;.76,-36.67,;.76,-39.34,;2.3,-39.3,;3.04,-37.95,;4.57,-37.9,;5.38,-39.21,;4.64,-40.58,;5.44,-41.88,;4.71,-43.23,;3.17,-43.28,;2.37,-41.96,;3.1,-40.61,)|
Show InChI InChI=1S/C26H21N3O3/c1-14-12-18(24(30)28-19-6-2-4-15-5-3-11-27-23(15)19)9-10-20(14)29-25(31)21-16-7-8-17(13-16)22(21)26(29)32/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294822
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES COc1cc(ccc1-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O)C(=O)Nc1cccc2cccnc12 |r,wU:14.14,12.13,c:16,(18.67,-31.94,;17.9,-33.27,;18.66,-34.61,;20.2,-34.62,;20.97,-35.95,;20.2,-37.29,;18.66,-37.29,;17.89,-35.95,;16.35,-35.94,;15.44,-37.2,;15.91,-38.67,;13.97,-36.72,;12.62,-37.38,;13.04,-35.9,;12.65,-34.41,;11.31,-35.17,;11.31,-36.71,;13.97,-35.18,;15.44,-34.71,;15.91,-33.24,;22.51,-35.96,;23.28,-34.63,;23.27,-37.3,;24.81,-37.26,;25.56,-35.91,;27.09,-35.86,;27.9,-37.17,;27.16,-38.54,;27.96,-39.84,;27.23,-41.19,;25.69,-41.23,;24.89,-39.92,;25.62,-38.57,)|
Show InChI InChI=1S/C26H21N3O4/c1-33-20-13-17(24(30)28-18-6-2-4-14-5-3-11-27-23(14)18)9-10-19(20)29-25(31)21-15-7-8-16(12-15)22(21)26(29)32/h2-11,13,15-16,31-32H,12H2,1H3,(H,28,30)/t15-,16+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294823
PNG
(2-Chloro-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(C(=O)Nc2cccc3cccnc23)c(Cl)c1 |r,c:6|
Show InChI InChI=1S/C25H18ClN3O3/c26-18-12-16(29-24(31)20-14-6-7-15(11-14)21(20)25(29)32)8-9-17(18)23(30)28-19-5-1-3-13-4-2-10-27-22(13)19/h1-10,12,14-15,31-32H,11H2,(H,28,30)/t14-,15+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294824
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1cc(ccc1C(=O)Nc1cccc2cccnc12)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:30|
Show InChI InChI=1S/C26H21N3O3/c1-14-12-18(29-25(31)21-16-7-8-17(13-16)22(21)26(29)32)9-10-19(14)24(30)28-20-6-2-4-15-5-3-11-27-23(15)20/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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n/an/an/an/a 2.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294825
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES COc1cc(ccc1C(=O)Nc1cccc2cccnc12)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:31|
Show InChI InChI=1S/C26H21N3O4/c1-33-20-13-17(29-25(31)21-15-7-8-16(12-15)22(21)26(29)32)9-10-18(20)24(30)28-19-6-2-4-14-5-3-11-27-23(14)19/h2-11,13,15-16,31-32H,12H2,1H3,(H,28,30)/t15-,16+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294826
PNG
(1-[4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)Nc2cccc3cccnc23)cc1 |r,c:6|
Show InChI InChI=1S/C25H20N4O3/c30-23-20-15-6-7-16(13-15)21(20)24(31)29(23)18-10-8-17(9-11-18)27-25(32)28-19-5-1-3-14-4-2-12-26-22(14)19/h1-12,15-16,30-31H,13H2,(H2,27,28,32)/t15-,16+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294827
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES O=C(Nc1cccc2cccnc12)[C@H]1CC[C@@H](CC1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,wU:23.26,25.27,13.14,wD:16.21,22.24,28.33,c:29,(23.31,2.86,;22.53,1.53,;23.3,.19,;24.84,.19,;25.62,1.52,;27.17,1.52,;27.93,.18,;27.16,-1.15,;27.93,-2.48,;27.17,-3.81,;25.62,-3.82,;24.85,-2.48,;25.62,-1.15,;20.99,1.53,;20.23,.2,;18.69,.2,;17.91,1.54,;18.69,2.87,;20.23,2.87,;16.37,1.54,;15.47,2.78,;15.94,4.25,;14,2.3,;12.68,3.07,;13.06,1.59,;12.65,.11,;11.33,.77,;11.34,2.31,;14,.76,;15.46,.29,;15.94,-1.18,)|
Show InChI InChI=1S/C25H25N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-7,12,15-18,20-21H,8-11,13H2,(H,27,29)/t15-,16-,17+,18-,20-,21+
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n/an/an/an/a 400n/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
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+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294829
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1ccc2cccnc2c1NC(=O)[C@H]1CC[C@@H](CC1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,wU:24.27,26.28,14.15,wD:23.25,29.34,17.22,c:30,(24.21,-7.63,;24.97,-8.97,;26.52,-8.98,;27.29,-10.31,;26.52,-11.64,;27.29,-12.97,;26.52,-14.31,;24.97,-14.31,;24.2,-12.98,;24.97,-11.64,;24.2,-10.3,;22.66,-10.3,;21.89,-8.97,;22.66,-7.63,;20.35,-8.96,;19.58,-10.3,;18.04,-10.3,;17.27,-8.95,;18.04,-7.62,;19.58,-7.63,;15.73,-8.95,;14.82,-7.72,;15.3,-6.25,;13.36,-8.19,;12.03,-7.42,;12.42,-8.91,;12,-10.39,;10.69,-9.72,;10.69,-8.18,;13.35,-9.73,;14.82,-10.21,;15.29,-11.68,)|
Show InChI InChI=1S/C26H27N3O3/c1-14-4-5-15-3-2-12-27-23(15)22(14)28-24(30)16-8-10-19(11-9-16)29-25(31)20-17-6-7-18(13-17)21(20)26(29)32/h2-7,12,16-21H,8-11,13H2,1H3,(H,28,30)/t16-,17-,18+,19-,20-,21+
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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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294830
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES O=C(Nc1cccc2cccnc12)N1CCC(CC1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:29|
Show InChI InChI=1S/C24H24N4O3/c29-22-19-15-6-7-16(13-15)20(19)23(30)28(22)17-8-11-27(12-9-17)24(31)26-18-5-1-3-14-4-2-10-25-21(14)18/h1-7,10,15-17,19-20H,8-9,11-13H2,(H,26,31)/t15-,16+,19-,20+
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n/an/an/an/a 1.00E+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
Proto-oncogene Wnt-3


(Homo sapiens (Human))
BDBM50294831
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES O=C(Nc1cccc2cccnc12)[C@H]1CC[C@H](CN2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)CC1 |r,wU:22.24,24.25,13.14,wD:16.18,21.22,27.31,c:27,(26.78,-20.85,;25.44,-21.6,;25.42,-23.14,;26.74,-23.93,;28.09,-23.18,;29.42,-23.97,;29.4,-25.51,;28.06,-26.27,;28.04,-27.8,;26.7,-28.56,;25.37,-27.78,;25.39,-26.23,;26.73,-25.48,;24.11,-20.82,;22.78,-21.57,;21.45,-20.79,;21.47,-19.24,;20.15,-18.45,;18.61,-18.45,;17.71,-17.22,;18.18,-15.75,;16.24,-17.69,;14.92,-16.92,;15.3,-18.41,;14.89,-19.89,;13.58,-19.22,;13.58,-17.68,;16.24,-19.23,;17.7,-19.71,;18.18,-21.18,;22.82,-18.49,;24.14,-19.28,)|
Show InChI InChI=1S/C26H27N3O3/c30-24(28-20-5-1-3-16-4-2-12-27-23(16)20)17-8-6-15(7-9-17)14-29-25(31)21-18-10-11-19(13-18)22(21)26(29)32/h1-5,10-12,15,17-19,21-22H,6-9,13-14H2,(H,28,30)/t15-,17-,18-,19+,21-,22+
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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
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+
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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
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