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Patent code US10399939

Compile Data Set for Download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412221
PNG
((1R,2S)-1-[4-[2-[3- (fluoromethyl)azetidin- 1-yl]e...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H30FNO2/c29-17-20-18-30(19-20)14-15-32-25-10-6-22(7-11-25)28-26(21-4-2-1-3-5-21)12-8-23-16-24(31)9-13-27(23)28/h1-7,9-11,13,16,20,26,28,31H,8,12,14-15,17-19H2/t26-,28+/m1/s1
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n/an/an/an/a 0.371n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412242
PNG
((S)-1'-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)etho...)
Show SMILES Oc1ccc2[C@H](c3ccc(OCCN4CC(CF)C4)cc3)C3(CCCC3)CCc2c1
Show InChI InChI=1S/C26H32FNO2/c27-16-19-17-28(18-19)13-14-30-23-6-3-20(4-7-23)25-24-8-5-22(29)15-21(24)9-12-26(25)10-1-2-11-26/h3-8,15,19,25,29H,1-2,9-14,16-18H2/t25-/m0/s1
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n/an/an/an/a 0.208n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412235
PNG
((5S,6R)-5-(4-(2-(3- (fluoromethyl)pyrrolidin- 1- y...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCC(CF)C2)cc1
Show InChI InChI=1S/C29H32FNO2/c30-19-21-14-15-31(20-21)16-17-33-26-10-6-23(7-11-26)29-27(22-4-2-1-3-5-22)12-8-24-18-25(32)9-13-28(24)29/h1-7,9-11,13,18,21,27,29,32H,8,12,14-17,19-20H2/t21?,27-,29+/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412251
PNG
((5R,6S)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)o...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C28H30FNO2/c29-15-4-16-30-18-25(19-30)32-24-11-7-21(8-12-24)28-26(20-5-2-1-3-6-20)13-9-22-17-23(31)10-14-27(22)28/h1-3,5-8,10-12,14,17,25-26,28,31H,4,9,13,15-16,18-19H2/t26-,28+/m1/s1
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n/an/an/an/a 0.107n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412246
PNG
((5R,6S)-5-(4-(((R)-1- ((R)-3- (fluoromethyl)pyrrol...)
Show SMILES C[C@H](CN1CC[C@@H](CF)C1)Oc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C30H34FNO2/c1-21(19-32-16-15-22(18-31)20-32)34-27-11-7-24(8-12-27)30-28(23-5-3-2-4-6-23)13-9-25-17-26(33)10-14-29(25)30/h2-8,10-12,14,17,21-22,28,30,33H,9,13,15-16,18-20H2,1H3/t21-,22+,28-,30+/m1/s1
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n/an/an/an/a>100n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412248
PNG
((5S,6S)-5-(6-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)nc1
Show InChI InChI=1S/C27H29FN2O2/c28-15-19-17-30(18-19)12-13-32-26-11-7-22(16-29-26)27-24(20-4-2-1-3-5-20)9-6-21-14-23(31)8-10-25(21)27/h1-5,7-8,10-11,14,16,19,24,27,31H,6,9,12-13,15,17-18H2/t24-,27+/m1/s1
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n/an/an/an/a 0.0460n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412225
PNG
((1S,2S)-1-[2,6- difluoro-4-[2-[3- (fluoromethyl)az...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H28F3NO2/c29-15-18-16-32(17-18)10-11-34-22-13-25(30)28(26(31)14-22)27-23(19-4-2-1-3-5-19)8-6-20-12-21(33)7-9-24(20)27/h1-5,7,9,12-14,18,23,27,33H,6,8,10-11,15-17H2/t23-,27+/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412226
PNG
((1R,2S)-1-[4-[2-[3- (fluoromethyl)azetidin- 1-yl]e...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)13-14-33-25-9-3-21(4-10-25)28-26(20-1-6-23(30)7-2-20)11-5-22-15-24(32)8-12-27(22)28/h1-4,6-10,12,15,19,26,28,32H,5,11,13-14,16-18H2/t26-,28+/m1/s1
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n/an/an/an/a 0.977n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412255
PNG
(4-((1S,2R)-1-(4-(2-(3- (fluoromethyl)azetidin- 1-y...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccc(cc1)C#N)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C29H29FN2O2/c30-16-21-18-32(19-21)13-14-34-26-9-5-23(6-10-26)29-27(22-3-1-20(17-31)2-4-22)11-7-24-15-25(33)8-12-28(24)29/h1-6,8-10,12,15,21,27,29,33H,7,11,13-14,16,18-19H2/t27-,29+/m0/s1
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n/an/an/an/a 0.0380n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412233
PNG
((5R,6S)-5-(4-(2-(3- (chloromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CCl)C2)cc1
Show InChI InChI=1S/C28H30ClNO2/c29-17-20-18-30(19-20)14-15-32-25-10-6-22(7-11-25)28-26(21-4-2-1-3-5-21)12-8-23-16-24(31)9-13-27(23)28/h1-7,9-11,13,16,20,26,28,31H,8,12,14-15,17-19H2/t26-,28+/m1/s1
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n/an/an/an/a 50.9n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412245
PNG
((5S,6R)-5-(4-((S)-2- ((R)-3- (fluoromethyl)pyrroli...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1)N1CC[C@@H](CF)C1
Show InChI InChI=1S/C30H34FNO2/c1-21(32-16-15-22(18-31)19-32)20-34-27-11-7-24(8-12-27)30-28(23-5-3-2-4-6-23)13-9-25-17-26(33)10-14-29(25)30/h2-8,10-12,14,17,21-22,28,30,33H,9,13,15-16,18-20H2,1H3/t21-,22-,28-,30+/m0/s1
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n/an/an/an/a 0.0370n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412247
PNG
((5S,6R)-5-(4-(((R)-1- ((R)-3- (fluoromethyl)pyrrol...)
Show SMILES C[C@H](CN1CC[C@@H](CF)C1)Oc1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C30H34FNO2/c1-21(19-32-16-15-22(18-31)20-32)34-27-11-7-24(8-12-27)30-28(23-5-3-2-4-6-23)13-9-25-17-26(33)10-14-29(25)30/h2-8,10-12,14,17,21-22,28,30,33H,9,13,15-16,18-20H2,1H3/t21-,22+,28+,30-/m1/s1
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n/an/an/an/a 0.675n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412241
PNG
((5S,6S)-5-(2-fluoro-4- (2-(3- (fluoromethyl)azetid...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)12-13-33-23-8-11-26(27(30)15-23)28-24(20-4-2-1-3-5-20)9-6-21-14-22(32)7-10-25(21)28/h1-5,7-8,10-11,14-15,19,24,28,32H,6,9,12-13,16-18H2/t24-,28+/m1/s1
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n/an/an/an/a 0.0360n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412260
PNG
((5R,6S)-5-(4-((2-((R)- 3- (fluoromethyl)pyrrolidin...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC[C@@H](CF)C2)cc1
Show InChI InChI=1S/C29H33FN2O/c30-19-21-14-16-32(20-21)17-15-31-25-9-6-23(7-10-25)29-27(22-4-2-1-3-5-22)12-8-24-18-26(33)11-13-28(24)29/h1-7,9-11,13,18,21,27,29,31,33H,8,12,14-17,19-20H2/t21-,27+,29-/m0/s1
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n/an/an/an/a 228n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412261
PNG
((5S,6R)-5-(4-((2-((R)- 3- (fluoromethyl)pyrrolidin...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC[C@@H](CF)C2)cc1
Show InChI InChI=1S/C29H33FN2O/c30-19-21-14-16-32(20-21)17-15-31-25-9-6-23(7-10-25)29-27(22-4-2-1-3-5-22)12-8-24-18-26(33)11-13-28(24)29/h1-7,9-11,13,18,21,27,29,31,33H,8,12,14-17,19-20H2/t21-,27-,29+/m0/s1
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n/an/an/an/a 0.773n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412231
PNG
((5R,6R)-6-(4,4- difluorocyclohexyl)-5- (4-(2-(3- (...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)C1CCC(F)(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H34F3NO2/c29-16-19-17-32(18-19)13-14-34-24-5-1-21(2-6-24)27-25(20-9-11-28(30,31)12-10-20)7-3-22-15-23(33)4-8-26(22)27/h1-2,4-6,8,15,19-20,25,27,33H,3,7,9-14,16-18H2/t25-,27+/m1/s1
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n/an/an/an/a 0.177n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412236
PNG
((5S,6R)-5-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H]1CCc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C29H32FNO4S/c1-36(33,34)26-10-4-21(5-11-26)27-12-6-23-16-24(32)7-13-28(23)29(27)22-2-8-25(9-3-22)35-15-14-31-18-20(17-30)19-31/h2-5,7-11,13,16,20,27,29,32H,6,12,14-15,17-19H2,1H3/t27-,29+/m0/s1
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n/an/an/an/a 39.4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412222
PNG
((1S,2R)-1-[4-[2-[3- (fluoromethyl)azetidin- 1-yl]e...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H30FNO2/c29-17-20-18-30(19-20)14-15-32-25-10-6-22(7-11-25)28-26(21-4-2-1-3-5-21)12-8-23-16-24(31)9-13-27(23)28/h1-7,9-11,13,16,20,26,28,31H,8,12,14-15,17-19H2/t26-,28+/m0/s1
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n/an/an/an/a 8.12n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412243
PNG
((R)-1'-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)etho...)
Show SMILES Oc1ccc2[C@@H](c3ccc(OCCN4CC(CF)C4)cc3)C3(CCCC3)CCc2c1
Show InChI InChI=1S/C26H32FNO2/c27-16-19-17-28(18-19)13-14-30-23-6-3-20(4-7-23)25-24-8-5-22(29)15-21(24)9-12-26(25)10-1-2-11-26/h3-8,15,19,25,29H,1-2,9-14,16-18H2/t25-/m1/s1
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n/an/an/an/a 0.451n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412238
PNG
((5R,6S)-5-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H]1CCc2cc(O)ccc2[C@H]1c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C29H32FNO4S/c1-36(33,34)26-10-4-21(5-11-26)27-12-6-23-16-24(32)7-13-28(23)29(27)22-2-8-25(9-3-22)35-15-14-31-18-20(17-30)19-31/h2-5,7-11,13,16,20,27,29,32H,6,12,14-15,17-19H2,1H3/t27-,29+/m1/s1
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n/an/an/an/a 0.227n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412240
PNG
((5R,6R)-5-(2-fluoro-4- (2-(3- (fluoromethyl)azetid...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)12-13-33-23-8-11-26(27(30)15-23)28-24(20-4-2-1-3-5-20)9-6-21-14-22(32)7-10-25(21)28/h1-5,7-8,10-11,14-15,19,24,28,32H,6,9,12-13,16-18H2/t24-,28+/m0/s1
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n/an/an/an/a 16.5n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412252
PNG
((5S,6R)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)a...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C28H31FN2O/c29-15-4-16-31-18-24(19-31)30-23-10-7-21(8-11-23)28-26(20-5-2-1-3-6-20)13-9-22-17-25(32)12-14-27(22)28/h1-3,5-8,10-12,14,17,24,26,28,30,32H,4,9,13,15-16,18-19H2/t26-,28+/m0/s1
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n/an/an/an/a 13.8n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412223
PNG
((1S,2R)-1-[4-[2-[3- (fluoromethyl)azetidin- 1-yl]e...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)13-14-33-25-9-3-21(4-10-25)28-26(20-1-6-23(30)7-2-20)11-5-22-15-24(32)8-12-27(22)28/h1-4,6-10,12,15,19,26,28,32H,5,11,13-14,16-18H2/t26-,28+/m0/s1
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n/an/an/an/a 38.6n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412259
PNG
((5S,6R)-5-(4-((2-(3- (fluoromethyl)azetidin- 1- yl...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H31FN2O/c29-17-20-18-31(19-20)15-14-30-24-9-6-22(7-10-24)28-26(21-4-2-1-3-5-21)12-8-23-16-25(32)11-13-27(23)28/h1-7,9-11,13,16,20,26,28,30,32H,8,12,14-15,17-19H2/t26-,28+/m0/s1
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n/an/an/an/a 0.203n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412227
PNG
((5R,6R)-5-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)C1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C27H34FNO3/c28-16-19-17-29(18-19)11-14-32-24-5-1-21(2-6-24)27-25(20-9-12-31-13-10-20)7-3-22-15-23(30)4-8-26(22)27/h1-2,4-6,8,15,19-20,25,27,30H,3,7,9-14,16-18H2/t25-,27+/m1/s1
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n/an/an/an/a 16.4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412256
PNG
((7S,8R)-8-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1cccc2CC[C@@H]([C@H](c3ccc(OCCN4CC(CF)C4)cc3)c12)c1ccccc1
Show InChI InChI=1S/C28H30FNO2/c29-17-20-18-30(19-20)15-16-32-24-12-9-23(10-13-24)27-25(21-5-2-1-3-6-21)14-11-22-7-4-8-26(31)28(22)27/h1-10,12-13,20,25,27,31H,11,14-19H2/t25-,27+/m1/s1
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n/an/an/an/a 29.8n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412249
PNG
((5R,6R)-5-(6-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)nc1
Show InChI InChI=1S/C27H29FN2O2/c28-15-19-17-30(18-19)12-13-32-26-11-7-22(16-29-26)27-24(20-4-2-1-3-5-20)9-6-21-14-23(31)8-10-25(21)27/h1-5,7-8,10-11,14,16,19,24,27,31H,6,9,12-13,15,17-18H2/t24-,27+/m0/s1
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n/an/an/an/a 12.5n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412224
PNG
((1R,2R)-1-[2,6- difluoro-4-[2-[3- (fluoromethyl)az...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1c(F)cc(OCCN2CC(CF)C2)cc1F
Show InChI InChI=1S/C28H28F3NO2/c29-15-18-16-32(17-18)10-11-34-22-13-25(30)28(26(31)14-22)27-23(19-4-2-1-3-5-19)8-6-20-12-21(33)7-9-24(20)27/h1-5,7,9,12-14,18,23,27,33H,6,8,10-11,15-17H2/t23-,27+/m0/s1
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n/an/an/an/a 15.6n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412232
PNG
((5R,6S)-5-(4-(2-(3- (fluoromethyl)pyrrolidin- 1- y...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCC(CF)C2)cc1
Show InChI InChI=1S/C29H32FNO2/c30-19-21-14-15-31(20-21)16-17-33-26-10-6-23(7-11-26)29-27(22-4-2-1-3-5-22)12-8-24-18-25(32)9-13-28(24)29/h1-7,9-11,13,18,21,27,29,32H,8,12,14-17,19-20H2/t21?,27-,29+/m1/s1
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n/an/an/an/a 47n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412237
PNG
((5S,6R)-5-(4-(2-(3- (difluoromethyl)azetidin- 1- y...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(C2)C(F)F)cc1
Show InChI InChI=1S/C28H29F2NO2/c29-28(30)22-17-31(18-22)14-15-33-24-10-6-20(7-11-24)27-25(19-4-2-1-3-5-19)12-8-21-16-23(32)9-13-26(21)27/h1-7,9-11,13,16,22,25,27-28,32H,8,12,14-15,17-18H2/t25-,27+/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412250
PNG
((5S,6R)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)o...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C28H30FNO2/c29-15-4-16-30-18-25(19-30)32-24-11-7-21(8-12-24)28-26(20-5-2-1-3-6-20)13-9-22-17-23(31)10-14-27(22)28/h1-3,5-8,10-12,14,17,25-26,28,31H,4,9,13,15-16,18-19H2/t26-,28+/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412253
PNG
((5R,6S)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)a...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1
Show InChI InChI=1S/C28H31FN2O/c29-15-4-16-31-18-24(19-31)30-23-10-7-21(8-11-23)28-26(20-5-2-1-3-6-20)13-9-22-17-25(32)12-14-27(22)28/h1-3,5-8,10-12,14,17,24,26,28,30,32H,4,9,13,15-16,18-19H2/t26-,28+/m1/s1
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n/an/an/an/a 0.0290n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412254
PNG
(4-((1R,2S)-1-(4-(2-(3- (fluoromethyl)azetidin- 1-y...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccc(cc1)C#N)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C29H29FN2O2/c30-16-21-18-32(19-21)13-14-34-26-9-5-23(6-10-26)29-27(22-3-1-20(17-31)2-4-22)11-7-24-15-25(33)8-12-28(24)29/h1-6,8-10,12,15,21,27,29,33H,7,11,13-14,16,18-19H2/t27-,29+/m1/s1
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n/an/an/an/a 53n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412228
PNG
((5S,6S)-6-(4,4- difluorocyclohexyl)-5- (4-(2-(3- (...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)C1CCC(F)(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H34F3NO2/c29-16-19-17-32(18-19)13-14-34-24-5-1-21(2-6-24)27-25(20-9-11-28(30,31)12-10-20)7-3-22-15-23(33)4-8-26(22)27/h1-2,4-6,8,15,19-20,25,27,33H,3,7,9-14,16-18H2/t25-,27+/m0/s1
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n/an/an/an/a 14.6n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412244
PNG
((5R,6S)-5-(4-((S)-2- ((R)-3- (fluoromethyl)pyrroli...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1)N1CC[C@@H](CF)C1
Show InChI InChI=1S/C30H34FNO2/c1-21(32-16-15-22(18-31)19-32)20-34-27-11-7-24(8-12-27)30-28(23-5-3-2-4-6-23)13-9-25-17-26(33)10-14-29(25)30/h2-8,10-12,14,17,21-22,28,30,33H,9,13,15-16,18-20H2,1H3/t21-,22-,28+,30-/m0/s1
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n/an/an/an/a 16.9n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412257
PNG
((7R,8S)-8-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1cccc2CC[C@H]([C@@H](c3ccc(OCCN4CC(CF)C4)cc3)c12)c1ccccc1
Show InChI InChI=1S/C28H30FNO2/c29-17-20-18-30(19-20)15-16-32-24-12-9-23(10-13-24)27-25(21-5-2-1-3-6-21)14-11-22-7-4-8-26(31)28(22)27/h1-10,12-13,20,25,27,31H,11,14-19H2/t25-,27+/m0/s1
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n/an/an/an/a 186n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412258
PNG
((5R,6S)-5-(4-((2-(3- (fluoromethyl)azetidin- 1- yl...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C28H31FN2O/c29-17-20-18-31(19-20)15-14-30-24-9-6-22(7-10-24)28-26(21-4-2-1-3-5-21)12-8-23-16-25(32)11-13-27(23)28/h1-7,9-11,13,16,20,26,28,30,32H,8,12,14-15,17-19H2/t26-,28+/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412230
PNG
((5S,6S)-5-(4-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)C1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1
Show InChI InChI=1S/C27H34FNO3/c28-16-19-17-29(18-19)11-14-32-24-5-1-21(2-6-24)27-25(20-9-12-31-13-10-20)7-3-22-15-23(30)4-8-26(22)27/h1-2,4-6,8,15,19-20,25,27,30H,3,7,9-14,16-18H2/t25-,27+/m0/s1
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US Patent
n/an/an/an/a 0.164n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412239
PNG
((5R,6S)-5-(4-(2-(3- (difluoromethyl)azetidin- 1- y...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(C2)C(F)F)cc1
Show InChI InChI=1S/C28H29F2NO2/c29-28(30)22-17-31(18-22)14-15-33-24-10-6-20(7-11-24)27-25(19-4-2-1-3-5-19)12-8-21-16-23(32)9-13-26(21)27/h1-7,9-11,13,16,22,25,27-28,32H,8,12,14-15,17-18H2/t25-,27+/m1/s1
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n/an/an/an/a 0.184n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM412234
PNG
((5S,6R)-5-(4-(2-(3- (chloromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CCl)C2)cc1
Show InChI InChI=1S/C28H30ClNO2/c29-17-20-18-30(19-20)14-15-32-25-10-6-22(7-11-25)28-26(21-4-2-1-3-5-21)12-8-23-16-24(31)9-13-27(23)28/h1-7,9-11,13,16,20,26,28,31H,8,12,14-15,17-19H2/t26-,28+/m0/s1
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n/an/an/an/a 0.177n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...


US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%