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Patent code US10227334

Compile Data Set for Download or QSAR
Found 8 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368199
PNG
((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1
Show InChI InChI=1/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/s2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.0700n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368203
PNG
(US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1
Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.130n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368197
PNG
((-)-2-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)...)
Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1
Show InChI InChI=1/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.210n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50169743
PNG
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
Show InChI InChI=1/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/s2
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CHEMBL
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PC sid
UniChem

Patents


Similars

US Patent
n/an/a 0.570n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368198
PNG
((R)-2-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)...)
Show SMILES CC1=C([C@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1
Show InChI InChI=1/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368202
PNG
(US10227334, Example 2-(4-((S)-2-(azetidin-1-yl)pro...)
Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCC1
Show InChI InChI=1S/C28H29NO4/c1-18(29-13-4-14-29)17-32-24-10-7-20(8-11-24)28-27(21-5-3-6-22(30)15-21)19(2)25-16-23(31)9-12-26(25)33-28/h3,5-12,15-16,18,28,30-31H,4,13-14,17H2,1-2H3/t18-,28?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368201
PNG
(US10227334, Example 2-(4-((S)-2-((R)-3-fluoropyrro...)
Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](F)C1
Show InChI InChI=1S/C29H30FNO4/c1-18(31-13-12-22(30)16-31)17-34-25-9-6-20(7-10-25)29-28(21-4-3-5-23(32)14-21)19(2)26-15-24(33)8-11-27(26)35-29/h3-11,14-15,18,22,29,32-33H,12-13,16-17H2,1-2H3/t18-,22+,29?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM368200
PNG
(3-(3-Hydroxyphenyl)-4-methyl-2-(4-(2-(3-methylazet...)
Show SMILES CC1CN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1
Show InChI InChI=1/C28H29NO4/c1-18-16-29(17-18)12-13-32-24-9-6-20(7-10-24)28-27(21-4-3-5-22(30)14-21)19(2)25-15-23(31)8-11-26(25)33-28/h3-11,14-15,18,28,30-31H,12-13,16-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...


US Patent US10227334 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%