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Patent code US9771316

Compile Data Set for Download or QSAR
Found 35 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
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.04E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340669
PNG
(US9771316, Example 68)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C18H19F4NO2/c19-15-12-14(9-10-17(15)25-18(20,21)22)24-16(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,16H,4-5,8,11,23H2/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.64E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.66E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340542
PNG
(US9771316, Example 44)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.94E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340671
PNG
(US9771316, Example 69)
Show SMILES NCCCC[C@H](Oc1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H19F4NO/c19-16-12-14(9-10-15(16)18(20,21)22)24-17(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11,23H2/t17-/m0/s1
MMDB

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UniChem
US Patent
n/an/a 5.30E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340549
PNG
(US9771316, Example 48)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C16H18F3NOS/c17-16(18,19)12-6-8-13(9-7-12)21-14(4-1-2-10-20)15-5-3-11-22-15/h3,5-9,11,14H,1-2,4,10,20H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.66E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340539
PNG
(US9771316, Example 26)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2ccccc2)cc1
Show InChI InChI=1S/C21H29NO/c1-3-17(2)18-12-14-20(15-13-18)23-21(11-7-8-16-22)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,21H,3,7-8,11,16,22H2,1-2H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.70E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340532
PNG
(US9771316, Example 1)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.75E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340661
PNG
(US9771316, Example 66)
Show SMILES NCCCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.28E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340536
PNG
(US9771316, Example 12)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C18H19F4NO/c19-15-5-3-4-13(12-15)17(6-1-2-11-23)24-16-9-7-14(8-10-16)18(20,21)22/h3-5,7-10,12,17H,1-2,6,11,23H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340671
PNG
(US9771316, Example 69)
Show SMILES NCCCC[C@H](Oc1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H19F4NO/c19-16-12-14(9-10-15(16)18(20,21)22)24-17(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11,23H2/t17-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.90E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340540
PNG
(US9771316, Example 29)
Show SMILES NCCCCC(Oc1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H19F4NO/c19-16-12-14(9-10-15(16)18(20,21)22)24-17(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11,23H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.60E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340533
PNG
(US9771316, Example 6)
Show SMILES NCCCCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C19H22F3NO/c20-19(21,22)16-10-12-17(13-11-16)24-18(9-5-2-6-14-23)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,18H,2,5-6,9,14,23H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.91E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340668
PNG
(US9771316, Example 67)
Show SMILES NCCCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.62E+4n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340536
PNG
(US9771316, Example 12)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C18H19F4NO/c19-15-5-3-4-13(12-15)17(6-1-2-11-23)24-16-9-7-14(8-10-16)18(20,21)22/h3-5,7-10,12,17H,1-2,6,11,23H2
MMDB

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UniChem
US Patent
n/an/a 1.00E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340560
PNG
(US9771316, Example 50)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)cc1)c1cccs1
Show InChI InChI=1S/C16H18F3NO2S/c17-16(18,19)22-13-8-6-12(7-9-13)21-14(4-1-2-10-20)15-5-3-11-23-15/h3,5-9,11,14H,1-2,4,10,20H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.23E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340533
PNG
(US9771316, Example 6)
Show SMILES NCCCCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C19H22F3NO/c20-19(21,22)16-10-12-17(13-11-16)24-18(9-5-2-6-14-23)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,18H,2,5-6,9,14,23H2
MMDB

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US Patent
n/an/a 1.28E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340672
PNG
(US9771316, Example 70)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
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UniChem
US Patent
n/an/a 1.31E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340674
PNG
(US9771316, Example 71)
Show SMILES NCCCC[C@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m0/s1
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n/an/a 1.31E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340532
PNG
(US9771316, Example 1)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
MMDB

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US Patent
n/an/a 1.46E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340651
PNG
(US9771316, Example 53)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)c(F)c1)c1cccs1
Show InChI InChI=1S/C16H17F4NO2S/c17-12-10-11(6-7-13(12)23-16(18,19)20)22-14(4-1-2-8-21)15-5-3-9-24-15/h3,5-7,9-10,14H,1-2,4,8,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.46E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340669
PNG
(US9771316, Example 68)
Show SMILES NCCCC[C@@H](Oc1ccc(OC(F)(F)F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C18H19F4NO2/c19-15-12-14(9-10-17(15)25-18(20,21)22)24-16(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,16H,4-5,8,11,23H2/t16-/m1/s1
MMDB

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US Patent
n/an/a 1.56E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340542
PNG
(US9771316, Example 44)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2
MMDB

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UniChem
US Patent
n/an/a 1.69E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340652
PNG
(US9771316, Example 54)
Show SMILES NCCCCC(Oc1ccc(c(F)c1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C16H17F4NOS/c17-13-10-11(6-7-12(13)16(18,19)20)22-14(4-1-2-8-21)15-5-3-9-23-15/h3,5-7,9-10,14H,1-2,4,8,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.77E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340661
PNG
(US9771316, Example 66)
Show SMILES NCCCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m1/s1
MMDB

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n/an/a 1.94E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340668
PNG
(US9771316, Example 67)
Show SMILES NCCCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-9-11-16(12-10-15)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m0/s1
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n/an/a 2.07E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340540
PNG
(US9771316, Example 29)
Show SMILES NCCCCC(Oc1ccc(c(F)c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C18H19F4NO/c19-16-12-14(9-10-15(16)18(20,21)22)24-17(8-4-5-11-23)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11,23H2
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n/an/a 2.18E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340674
PNG
(US9771316, Example 71)
Show SMILES NCCCC[C@H](Oc1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C18H20F3NO2/c19-18(20,21)24-16-11-9-15(10-12-16)23-17(8-4-5-13-22)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,22H2/t17-/m0/s1
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n/an/a 2.44E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340539
PNG
(US9771316, Example 26)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2ccccc2)cc1
Show InChI InChI=1S/C21H29NO/c1-3-17(2)18-12-14-20(15-13-18)23-21(11-7-8-16-22)19-9-5-4-6-10-19/h4-6,9-10,12-15,17,21H,3,7-8,11,16,22H2,1-2H3
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n/an/a 2.53E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340651
PNG
(US9771316, Example 53)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)c(F)c1)c1cccs1
Show InChI InChI=1S/C16H17F4NO2S/c17-12-10-11(6-7-13(12)23-16(18,19)20)22-14(4-1-2-8-21)15-5-3-9-24-15/h3,5-7,9-10,14H,1-2,4,8,21H2
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n/an/a 2.58E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340646
PNG
(US9771316, Example 51)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2cccs2)cc1
Show InChI InChI=1S/C19H27NOS/c1-3-15(2)16-9-11-17(12-10-16)21-18(7-4-5-13-20)19-8-6-14-22-19/h6,8-12,14-15,18H,3-5,7,13,20H2,1-2H3
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n/an/a 2.61E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 1


(Homo sapiens (Human))
BDBM340646
PNG
(US9771316, Example 51)
Show SMILES CCC(C)c1ccc(OC(CCCCN)c2cccs2)cc1
Show InChI InChI=1S/C19H27NOS/c1-3-15(2)16-9-11-17(12-10-16)21-18(7-4-5-13-20)19-8-6-14-22-19/h6,8-12,14-15,18H,3-5,7,13,20H2,1-2H3
PDB

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n/an/a 2.61E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent


Assay Description
Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetu...


US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340652
PNG
(US9771316, Example 54)
Show SMILES NCCCCC(Oc1ccc(c(F)c1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C16H17F4NOS/c17-13-10-11(6-7-12(13)16(18,19)20)22-14(4-1-2-8-21)15-5-3-9-23-15/h3,5-7,9-10,14H,1-2,4,8,21H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340560
PNG
(US9771316, Example 50)
Show SMILES NCCCCC(Oc1ccc(OC(F)(F)F)cc1)c1cccs1
Show InChI InChI=1S/C16H18F3NO2S/c17-16(18,19)22-13-8-6-12(7-9-13)21-14(4-1-2-10-20)15-5-3-11-23-15/h3,5-9,11,14H,1-2,4,10,20H2
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n/an/a 3.13E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

More data for this
Ligand-Target Pair
Large neutral amino acids transporter small subunit 2


(Homo sapiens (Human))
BDBM340549
PNG
(US9771316, Example 48)
Show SMILES NCCCCC(Oc1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C16H18F3NOS/c17-16(18,19)12-6-8-13(9-7-12)21-14(4-1-2-10-20)15-5-3-11-22-15/h3,5-9,11,14H,1-2,4,10,20H2
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n/an/a 3.57E+5n/an/an/an/an/an/a



Osaka University; KNC Laboratories Co., Ltd.

US Patent




US Patent US9771316 (2017)

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