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Compile Data Set for Download or QSAR

Found 8320 hits from Bayer Pharma Aktiengesellschaft   
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
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300584
PNG
(N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-[(m...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClF3N5O4S/c23-15-3-1-2-14(10-15)20-29-30-21(36-20)28-19(33)13-4-5-17(35-22(24,25)26)16(11-13)27-18(32)12-31-6-8-34-9-7-31/h1-5,10-11H,6-9,12H2,(H,27,32)(H,28,30,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300586
PNG
(N1-(2-methoxyethyl)-2-[(morpholin-4-ylacetyl)amino...)
Show SMILES COCCNC(=O)c1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C25H28N6O5S/c1-35-12-9-26-23(34)19-8-7-18(15-20(19)27-21(32)16-31-10-13-36-14-11-31)22(33)28-25-30-29-24(37-25)17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,26,34)(H,27,32)(H,28,30,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300587
PNG
(4-methyl-3-({[1-(4-methylpiperazin-1-yl)cyclopropy...)
Show SMILES CN1CCN(CC1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C25H28N6O2S/c1-17-8-9-19(21(32)27-24-29-28-22(34-24)18-6-4-3-5-7-18)16-20(17)26-23(33)25(10-11-25)31-14-12-30(2)13-15-31/h3-9,16H,10-15H2,1-2H3,(H,26,33)(H,27,29,32)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300589
PNG
(4-(cyclopropyloxy)-3-({[1-(morpholin-4-yl)cyclopro...)
Show SMILES O=C(Nc1nnc(s1)-c1ccccc1)c1ccc(OC2CC2)c(NC(=O)C2(CC2)N2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O4S/c32-22(28-25-30-29-23(36-25)17-4-2-1-3-5-17)18-6-9-21(35-19-7-8-19)20(16-18)27-24(33)26(10-11-26)31-12-14-34-15-13-31/h1-6,9,16,19H,7-8,10-15H2,(H,27,33)(H,28,30,32)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300592
PNG
(3-({[(2S)-2,4-dimethylpiperazin-1-yl]acetyl}amino)...)
Show SMILES C[C@H]1CN(C)CCN1CC(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1/C27H27F4N5O3/c1-17-15-35(2)11-12-36(17)16-25(37)34-23-13-18(7-10-24(23)39-27(29,30)31)26(38)33-19-8-9-22(32-14-19)20-5-3-4-6-21(20)28/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,33,38)(H,34,37)/t17-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300593
PNG
(3-({[(3S)-3,4-dimethylpiperazin-1-yl]acetyl}amino)...)
Show SMILES C[C@H]1CN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2ccc(nc2)-c2ccccc2F)CCN1C
Show InChI InChI=1/C27H27F4N5O3/c1-17-15-36(12-11-35(17)2)16-25(37)34-23-13-18(7-10-24(23)39-27(29,30)31)26(38)33-19-8-9-22(32-14-19)20-5-3-4-6-21(20)28/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,33,38)(H,34,37)/t17-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300594
PNG
(3-({[(3R)-3,4-dimethylpiperazin-1-yl]acetyl}amino)...)
Show SMILES C[C@@H]1CN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2ccc(nc2)-c2ccccc2F)CCN1C
Show InChI InChI=1/C27H27F4N5O3/c1-17-15-36(12-11-35(17)2)16-25(37)34-23-13-18(7-10-24(23)39-27(29,30)31)26(38)33-19-8-9-22(32-14-19)20-5-3-4-6-21(20)28/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,33,38)(H,34,37)/t17-/s2
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300597
PNG
(3-{[(2,4-dimethylpiperazin-1-yl)acetyl]amino}-N-(5...)
Show SMILES CC1CN(C)CCN1CC(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1/C24H25F3N6O3S/c1-15-13-32(2)10-11-33(15)14-20(34)28-18-12-17(8-9-19(18)36-24(25,26)27)21(35)29-23-31-30-22(37-23)16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,28,34)(H,29,31,35)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300599
PNG
(3-[(1,4-oxazepan-4-ylacetyl)amino]-N-(5-phenyl-1,3...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)CN1CCCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H22F3N5O4S/c24-23(25,26)35-18-8-7-16(13-17(18)27-19(32)14-31-9-4-11-34-12-10-31)20(33)28-22-30-29-21(36-22)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,27,32)(H,28,30,33)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300600
PNG
(4-(cyclopropyloxy)-3-[(morpholin-4-ylacetyl)amino]...)
Show SMILES O=C(CN1CCOCC1)Nc1cc(ccc1OC1CC1)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C24H25N5O4S/c30-21(15-29-10-12-32-13-11-29)25-19-14-17(6-9-20(19)33-18-7-8-18)22(31)26-24-28-27-23(34-24)16-4-2-1-3-5-16/h1-6,9,14,18H,7-8,10-13,15H2,(H,25,30)(H,26,28,31)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300601
PNG
(4-(cyclopropyloxy)-3-({[1-(4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C1(CC1)C(=O)Nc1cc(ccc1OC1CC1)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C27H30N6O3S/c1-32-13-15-33(16-14-32)27(11-12-27)25(35)28-21-17-19(7-10-22(21)36-20-8-9-20)23(34)29-26-31-30-24(37-26)18-5-3-2-4-6-18/h2-7,10,17,20H,8-9,11-16H2,1H3,(H,28,35)(H,29,31,34)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300602
PNG
(3-{[(4-ethylpiperazin-1-yl)acetyl]amino}-N-(5-phen...)
Show SMILES CCN1CCN(CC(=O)Nc2cc(ccc2OC(F)(F)F)C(=O)Nc2nnc(s2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H25F3N6O3S/c1-2-32-10-12-33(13-11-32)15-20(34)28-18-14-17(8-9-19(18)36-24(25,26)27)21(35)29-23-31-30-22(37-23)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,28,34)(H,29,31,35)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300603
PNG
(4-chloro-3-{[(4-methylpiperazin-1-yl)acetyl]amino}...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2Cl)C(=O)Nc2nnc(s2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H23ClN6O2S/c1-28-9-11-29(12-10-28)14-19(30)24-18-13-16(7-8-17(18)23)20(31)25-22-27-26-21(32-22)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,24,30)(H,25,27,31)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300604
PNG
(4-cyano-3-{[(4-methylpiperazin-1-yl)acetyl]amino}-...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2C#N)C(=O)Nc2nnc(s2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H23N7O2S/c1-29-9-11-30(12-10-29)15-20(31)25-19-13-17(7-8-18(19)14-24)21(32)26-23-28-27-22(33-23)16-5-3-2-4-6-16/h2-8,13H,9-12,15H2,1H3,(H,25,31)(H,26,28,32)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300606
PNG
(4-(methoxymethyl)-N-[5-(2-methylphenyl)-1,3,4-thia...)
Show SMILES COCc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1C
Show InChI InChI=1S/C24H27N5O4S/c1-16-5-3-4-6-19(16)23-27-28-24(34-23)26-22(31)17-7-8-18(15-32-2)20(13-17)25-21(30)14-29-9-11-33-12-10-29/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,28,31)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300609
PNG
(3-({[1- (dimethylamino)cyclopropyl] carbonyl}amino...)
Show SMILES CN(C)C1(CC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1S/C25H22F4N4O3/c1-33(2)24(11-12-24)23(35)32-20-13-15(7-10-21(20)36-25(27,28)29)22(34)31-16-8-9-19(30-14-16)17-5-3-4-6-18(17)26/h3-10,13-14H,11-12H2,1-2H3,(H,31,34)(H,32,35)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300610
PNG
(N-[6-(3,5- difluorophenyl)pyridin-3-yl]-3- ({(2R*)...)
Show SMILES CC(N1C[C@@H]2C[C@H]1CO2)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1cc(F)cc(F)c1
Show InChI InChI=1/C27H23F5N4O4/c1-14(36-12-21-10-20(36)13-39-21)25(37)35-23-8-15(2-5-24(23)40-27(30,31)32)26(38)34-19-3-4-22(33-11-19)16-6-17(28)9-18(29)7-16/h2-9,11,14,20-21H,10,12-13H2,1H3,(H,34,38)(H,35,37)/t14?,20-,21-/s2
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300612
PNG
(N-[6-(3-fluorophenyl)pyridin-3- yl]-3-{[2-(morphol...)
Show SMILES CC(N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1cccc(F)c1
Show InChI InChI=1/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-22-14-18(5-8-23(22)38-26(28,29)30)25(36)32-20-6-7-21(31-15-20)17-3-2-4-19(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35)
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US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300621
PNG
(3-[(morpholin-4- ylacetyl)amino]-N-(5-phenyl- 1,3,...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H20F3N5O5/c23-22(24,25)35-17-7-6-15(12-16(17)26-18(31)13-30-8-10-33-11-9-30)19(32)27-21-29-28-20(34-21)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,31)(H,27,29,32)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300625
PNG
(N-[6-(4-hydroxyphenyl)pyridin- 3-yl]-3-{[2-(morpho...)
Show SMILES CC(N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccc(O)cc1
Show InChI InChI=1/C26H25F3N4O5/c1-16(33-10-12-37-13-11-33)24(35)32-22-14-18(4-9-23(22)38-26(27,28)29)25(36)31-19-5-8-21(30-15-19)17-2-6-20(34)7-3-17/h2-9,14-16,34H,10-13H2,1H3,(H,31,36)(H,32,35)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300626
PNG
(3-{[2-(4-cyclopropylpiperazin-1- yl)propanoyl]amin...)
Show SMILES CC(N1CCN(CC1)C1CC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1/C29H29F4N5O3/c1-18(37-12-14-38(15-13-37)21-8-9-21)27(39)36-25-16-19(6-11-26(25)41-29(31,32)33)28(40)35-20-7-10-24(34-17-20)22-4-2-3-5-23(22)30/h2-7,10-11,16-18,21H,8-9,12-15H2,1H3,(H,35,40)(H,36,39)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300642
PNG
(6-(2-fluorophenyl)-N-[3-{[2-(8- oxa-3-azabicyclo[3...)
Show SMILES CC(N1CC2CCC(C1)O2)C(=O)Nc1cc(NC(=O)c2ccc(nc2)-c2ccccc2F)ccc1OC(F)(F)F
Show InChI InChI=1/C28H26F4N4O4/c1-16(36-14-19-8-9-20(15-36)39-19)26(37)35-24-12-18(7-11-25(24)40-28(30,31)32)34-27(38)17-6-10-23(33-13-17)21-4-2-3-5-22(21)29/h2-7,10-13,16,19-20H,8-9,14-15H2,1H3,(H,34,38)(H,35,37)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300643
PNG
(6-(2-fluorophenyl)-N-[3-{[2- (morpholin-4- yl)prop...)
Show SMILES CC(N1CCOCC1)C(=O)Nc1cc(NC(=O)c2ccc(nc2)-c2ccccc2F)ccc1OC(F)(F)F
Show InChI InChI=1/C26H24F4N4O4/c1-16(34-10-12-37-13-11-34)24(35)33-22-14-18(7-9-23(22)38-26(28,29)30)32-25(36)17-6-8-21(31-15-17)19-4-2-3-5-20(19)27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,35)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300615
PNG
(6-(3,5-difluorophenyl)-N-[3- ({(2R*)-2-[(1S,4S)-2-...)
Show SMILES CC(N1C[C@@H]2C[C@H]1CO2)C(=O)Nc1cc(NC(=O)c2ccc(nc2)-c2cc(F)cc(F)c2)ccc1OC(F)(F)F
Show InChI InChI=1/C27H23F5N4O4/c1-14(36-12-21-10-20(36)13-39-21)25(37)35-23-9-19(3-5-24(23)40-27(30,31)32)34-26(38)15-2-4-22(33-11-15)16-6-17(28)8-18(29)7-16/h2-9,11,14,20-21H,10,12-13H2,1H3,(H,34,38)(H,35,37)/t14?,20-,21-/s2
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300649
PNG
(6-(3,5-difluorophenyl)-N-[3-{[2- (morpholin-4- yl)...)
Show SMILES CC(N1CCOCC1)C(=O)Nc1cc(NC(=O)c2ccc(nc2)-c2cc(F)cc(F)c2)ccc1OC(F)(F)F
Show InChI InChI=1/C26H23F5N4O4/c1-15(35-6-8-38-9-7-35)24(36)34-22-13-20(3-5-23(22)39-26(29,30)31)33-25(37)16-2-4-21(32-14-16)17-10-18(27)12-19(28)11-17/h2-5,10-15H,6-9H2,1H3,(H,33,37)(H,34,36)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300636
PNG
(6-(2-fluorophenyl)-N-[3-{[2- (morpholin-4- yl)prop...)
Show SMILES CC(N1CCOCC1)C(=O)Nc1cc(NC(=O)c2ccc(nc2)-c2ccccc2F)ccc1OC(F)(F)F
Show InChI InChI=1/C26H24F4N4O4/c1-16(34-10-12-37-13-11-34)24(35)33-22-14-18(7-9-23(22)38-26(28,29)30)32-25(36)17-6-8-21(31-15-17)19-4-2-3-5-20(19)27/h2-9,14-16H,10-13H2,1H3,(H,32,36)(H,33,35)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300659
PNG
(6-(4-fluorophenyl)-N-{4- methoxy-3-[(morpholin-4- ...)
Show SMILES COc1ccc(NC(=O)c2ccc(nc2)-c2ccc(F)cc2)cc1NC(=O)CN1CCOCC1
Show InChI InChI=1S/C25H25FN4O4/c1-33-23-9-7-20(14-22(23)29-24(31)16-30-10-12-34-13-11-30)28-25(32)18-4-8-21(27-15-18)17-2-5-19(26)6-3-17/h2-9,14-15H,10-13,16H2,1H3,(H,28,32)(H,29,31)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300660
PNG
(3-{[2-(4-methylpiperazin-1- yl)propanoyl]amino}-4-...)
Show SMILES CC(N1CCN(C)CC1)C(=O)Nc1cc(ccc1CS(C)(=O)=O)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1/C25H30N6O4S2/c1-17(31-13-11-30(2)12-14-31)22(32)26-21-15-19(9-10-20(21)16-37(3,34)35)23(33)27-25-29-28-24(36-25)18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,26,32)(H,27,29,33)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300661
PNG
(3-{[2-(4-methylpiperazin-1- yl)propanoyl]amino}-4-...)
Show SMILES CC(N1CCN(C)CC1)C(=O)Nc1cc(ccc1CS(C)(=O)=O)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1/C25H30N6O4S2/c1-17(31-13-11-30(2)12-14-31)22(32)26-21-15-19(9-10-20(21)16-37(3,34)35)23(33)27-25-29-28-24(36-25)18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,26,32)(H,27,29,33)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300661
PNG
(3-{[2-(4-methylpiperazin-1- yl)propanoyl]amino}-4-...)
Show SMILES CC(N1CCN(C)CC1)C(=O)Nc1cc(ccc1CS(C)(=O)=O)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1/C25H30N6O4S2/c1-17(31-13-11-30(2)12-14-31)22(32)26-21-15-19(9-10-20(21)16-37(3,34)35)23(33)27-25-29-28-24(36-25)18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,26,32)(H,27,29,33)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300663
PNG
(N-[6-(2-fluorophenyl)pyridin-3- yl]-3-({[4-(2,2,2-...)
Show SMILES Fc1ccccc1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)c(NC(=O)CN3CCN(CC(F)(F)F)CC3)c2)cn1
Show InChI InChI=1S/C27H24F7N5O3/c28-20-4-2-1-3-19(20)21-7-6-18(14-35-21)36-25(41)17-5-8-23(42-27(32,33)34)22(13-17)37-24(40)15-38-9-11-39(12-10-38)16-26(29,30)31/h1-8,13-14H,9-12,15-16H2,(H,36,41)(H,37,40)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300665
PNG
(4-[(methylsulfonyl)methyl]-3- [(morpholin-4-ylacet...)
Show SMILES CS(=O)(=O)Cc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H25N5O5S2/c1-35(31,32)15-18-8-7-17(13-19(18)24-20(29)14-28-9-11-33-12-10-28)21(30)25-23-27-26-22(34-23)16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,29)(H,25,27,30)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300666
PNG
(N-[6-(2-fluorophenyl)pyridin-3- yl]-3-({[1-(4-meth...)
Show SMILES CN1CCN(CC1)C1(CC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1S/C28H27F4N5O3/c1-36-12-14-37(15-13-36)27(10-11-27)26(39)35-23-16-18(6-9-24(23)40-28(30,31)32)25(38)34-19-7-8-22(33-17-19)20-4-2-3-5-21(20)29/h2-9,16-17H,10-15H2,1H3,(H,34,38)(H,35,39)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300668
PNG
(4-(cyclopropyloxy)-N-[6-(2- fluorophenyl)pyridin-3...)
Show SMILES Fc1ccccc1-c1ccc(NC(=O)c2ccc(OC3CC3)c(NC(=O)Cc3ccccn3)c2)cn1
Show InChI InChI=1S/C28H23FN4O3/c29-23-7-2-1-6-22(23)24-12-9-20(17-31-24)32-28(35)18-8-13-26(36-21-10-11-21)25(15-18)33-27(34)16-19-5-3-4-14-30-19/h1-9,12-15,17,21H,10-11,16H2,(H,32,35)(H,33,34)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300669
PNG
(4-(difluoromethoxy)-3- [(morpholin-4-ylacetyl)amin...)
Show SMILES FC(F)Oc1ccc(cc1NC(=O)CN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C22H21F2N5O4S/c23-21(24)33-17-7-6-15(12-16(17)25-18(30)13-29-8-10-32-11-9-29)19(31)26-22-28-27-20(34-22)14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2,(H,25,30)(H,26,28,31)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300670
PNG
(3-[(8-oxa-3- azabicyclo[3.2.1]oct-3- ylacetyl)amin...)
Show SMILES FC(F)(F)Oc1ccc(cc1NC(=O)CN1CC2CCC(C1)O2)C(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1/C24H22F3N5O4S/c25-24(26,27)36-19-9-6-15(21(34)29-23-31-30-22(37-23)14-4-2-1-3-5-14)10-18(19)28-20(33)13-32-11-16-7-8-17(12-32)35-16/h1-6,9-10,16-17H,7-8,11-13H2,(H,28,33)(H,29,31,34)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM315157
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1/C30H33ClN2O3/c1-3-20(16-28(34)35)26-9-6-10-27(19(26)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-15-25(31)18-32-17-24/h6,9-15,17-18,20,22,29H,3-5,7-8,16H2,1-2H3,(H,33,36)(H,34,35)
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Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)


Article DOI: 10.1016/j.bmcl.2008.02.002
BindingDB Entry DOI: 10.7270/Q20K2BNW
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415399
PNG
(Preparation of 3-[(4-benzylphenyl)amino]-6,6-dimet...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(Cc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C28H27N3O/c1-28(2)17-23-25(24(32)18-28)27(26(31-23)21-12-14-29-15-13-21)30-22-10-8-20(9-11-22)16-19-6-4-3-5-7-19/h3-15,30-31H,16-18H2,1-2H3
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415400
PNG
(Preparation of 6,6-dimethyl-3-[(4-phenoxyphenyl)am...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C27H25N3O2/c1-27(2)16-22-24(23(31)17-27)26(25(30-22)18-12-14-28-15-13-18)29-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-15,29-30H,16-17H2,1-2H3
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415097
PNG
(Preparation of 4-[4-oxo-3-(phenylamino)-4,5,6,7-te...)
Show SMILES O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1C#N
Show InChI InChI=1S/C20H16N4O/c21-11-13-12-22-10-9-15(13)19-20(23-14-5-2-1-3-6-14)18-16(24-19)7-4-8-17(18)25/h1-3,5-6,9-10,12,23-24H,4,7-8H2
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415116
PNG
(Intermediate 1-2-45 | US10428044, Example 216)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C21H19Cl2N3O/c1-21(2)10-14-18(15(27)11-21)20(24-13-6-4-3-5-7-13)19(25-14)12-8-16(22)26-17(23)9-12/h3-9,24-25H,10-11H2,1-2H3
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415117
PNG
(Intermediate 1-2-46 | US10428044, Example 217)
Show SMILES Clc1cc(CNC2=C(C(=S)Nc3ccccc3)C(=O)CCC2)cc(Cl)n1
Show InChI InChI=1S/C19H17Cl2N3OS/c20-16-9-12(10-17(21)24-16)11-22-14-7-4-8-15(25)18(14)19(26)23-13-5-2-1-3-6-13/h1-3,5-6,9-10,22H,4,7-8,11H2,(H,23,26)
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415307
PNG
(Preparation of 3-(biphenyl-4-ylamino)-6,6-dimethyl...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C27H25N3O/c1-27(2)16-22-24(23(31)17-27)26(25(30-22)20-12-14-28-15-13-20)29-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,29-30H,16-17H2,1-2H3
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415355
PNG
(Intermediate 1-2-86 | US10428044, Example 468)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(OCc2ccccc2)c1
Show InChI InChI=1S/C28H27N3O2/c1-28(2)16-22-25(23(32)17-28)27(30-21-11-7-4-8-12-21)26(31-22)20-13-14-29-24(15-20)33-18-19-9-5-3-6-10-19/h3-15,30-31H,16-18H2,1-2H3
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Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300494
PNG
(N-[6-(2-fluorophenyl)pyridin-3-yl]-3-{[2-(4-methyl...)
Show SMILES CC(N1CCN(C)CC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1/C27H27F4N5O3/c1-17(36-13-11-35(2)12-14-36)25(37)34-23-15-18(7-10-24(23)39-27(29,30)31)26(38)33-19-8-9-22(32-16-19)20-5-3-4-6-21(20)28/h3-10,15-17H,11-14H2,1-2H3,(H,33,38)(H,34,37)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300495
PNG
(N-[6-(2-fluorophenyl)pyridin-3-yl]-3-{[(2S)-2-(4-m...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1/C27H27F4N5O3/c1-17(36-13-11-35(2)12-14-36)25(37)34-23-15-18(7-10-24(23)39-27(29,30)31)26(38)33-19-8-9-22(32-16-19)20-5-3-4-6-21(20)28/h3-10,15-17H,11-14H2,1-2H3,(H,33,38)(H,34,37)/t17-/s2
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300496
PNG
(N-[6-(2-fluorophenyl)pyridin-3-yl]-3-{[(2S)-2-(4-m...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1/C27H27F4N5O3/c1-17(36-13-11-35(2)12-14-36)25(37)34-23-15-18(7-10-24(23)39-27(29,30)31)26(38)33-19-8-9-22(32-16-19)20-5-3-4-6-21(20)28/h3-10,15-17H,11-14H2,1-2H3,(H,33,38)(H,34,37)/t17-/s2
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300497
PNG
(3-({[1-(4-cyclopropylpiperazin-1-yl)cyclopropyl]ca...)
Show SMILES Fc1ccccc1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)c(NC(=O)C3(CC3)N3CCN(CC3)C3CC3)c2)cn1
Show InChI InChI=1S/C30H29F4N5O3/c31-23-4-2-1-3-22(23)24-9-6-20(18-35-24)36-27(40)19-5-10-26(42-30(32,33)34)25(17-19)37-28(41)29(11-12-29)39-15-13-38(14-16-39)21-7-8-21/h1-6,9-10,17-18,21H,7-8,11-16H2,(H,36,40)(H,37,41)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300498
PNG
(N-[6-(2-fluorophenyl)pyridin-3-yl]-3-({[1-(morphol...)
Show SMILES Fc1ccccc1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)c(NC(=O)C3(CC3)N3CCOCC3)c2)cn1
Show InChI InChI=1S/C27H24F4N4O4/c28-20-4-2-1-3-19(20)21-7-6-18(16-32-21)33-24(36)17-5-8-23(39-27(29,30)31)22(15-17)34-25(37)26(9-10-26)35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,33,36)(H,34,37)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300499
PNG
(N-[6-(3-fluorophenyl)pyridin-3-yl]-3-{[2-(morpholi...)
Show SMILES CC(N1CCOCC1)C(=O)Nc1cc(ccc1OC(F)(F)F)C(=O)Nc1ccc(nc1)-c1cccc(F)c1
Show InChI InChI=1/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-22-14-18(5-8-23(22)38-26(28,29)30)25(36)32-20-6-7-21(31-15-20)17-3-2-4-19(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35)
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Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
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