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Patent code US9795602

Compile Data Set for Download or QSAR
Found 9 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
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350693
PNG
(US9795602, Compound 29)
Show SMILES CN1[C@H]2CCC[C@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H18F3N3O4/c1-25-14-3-2-4-15(14)26-8-11(17(27)18(28)16(26)20(25)30)19(29)24-7-10-12(22)5-9(21)6-13(10)23/h5-6,8,14-15,28H,2-4,7H2,1H3,(H,24,29)/t14-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 216n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350694
PNG
(US9795602, Compound 58)
Show SMILES CN1[C@@H]2CCC[C@@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H18F3N3O4/c1-25-14-3-2-4-15(14)26-8-11(17(27)18(28)16(26)20(25)30)19(29)24-7-10-12(22)5-9(21)6-13(10)23/h5-6,8,14-15,28H,2-4,7H2,1H3,(H,24,29)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.49E+3n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350830
PNG
(US9795602, Compound 59)
Show SMILES CN1[C@@H]2CCCC[C@@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F3N3O4/c1-26-15-4-2-3-5-16(15)27-9-12(18(28)19(29)17(27)21(26)31)20(30)25-8-11-13(23)6-10(22)7-14(11)24/h6-7,9,15-16,29H,2-5,8H2,1H3,(H,25,30)/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.51E+3n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350834
PNG
(US9795602, Compound 12)
Show SMILES CCN1[C@@H]2COCC[C@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F3N3O5/c1-2-26-16-9-32-4-3-15(16)27-8-12(18(28)19(29)17(27)21(26)31)20(30)25-7-11-13(23)5-10(22)6-14(11)24/h5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30)/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350831
PNG
(US9795602, Compound 31)
Show SMILES Oc1c2C(=O)N(CC(F)(F)F)[C@H]3COCC[C@H]3n2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O
Show InChI InChI=1S/C21H17F6N3O5/c22-9-3-12(23)10(13(24)4-9)5-28-19(33)11-6-29-14-1-2-35-7-15(14)30(8-21(25,26)27)20(34)16(29)18(32)17(11)31/h3-4,6,14-15,32H,1-2,5,7-8H2,(H,28,33)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350836
PNG
(US9795602, Compound 28)
Show SMILES Oc1c2C(=O)N[C@H]3CCC[C@H]3n2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O
Show InChI InChI=1S/C19H16F3N3O4/c20-8-4-11(21)9(12(22)5-8)6-23-18(28)10-7-25-14-3-1-2-13(14)24-19(29)15(25)17(27)16(10)26/h4-5,7,13-14,27H,1-3,6H2,(H,23,28)(H,24,29)/t13-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350832
PNG
(US9795602, Compound 32)
Show SMILES Oc1c2C(=O)N(CC(F)(F)F)[C@@H]3COCC[C@@H]3n2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O
Show InChI InChI=1S/C21H17F6N3O5/c22-9-3-12(23)10(13(24)4-9)5-28-19(33)11-6-29-14-1-2-35-7-15(14)30(8-21(25,26)27)20(34)16(29)18(32)17(11)31/h3-4,6,14-15,32H,1-2,5,7-8H2,(H,28,33)/t14-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350835
PNG
(US9795602, Compound 25b)
Show SMILES CCN1[C@@H]2OCC[C@@H]2n2cc(C(=O)NCc3ccc(F)c(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H18ClF2N3O5/c1-2-25-19(30)15-17(28)16(27)10(8-26(15)12-5-6-31-20(12)25)18(29)24-7-9-3-4-11(22)13(21)14(9)23/h3-4,8,12,20,28H,2,5-7H2,1H3,(H,24,29)/t12-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

More data for this
Ligand-Target Pair
Octamer-binding transcription factor 2 (OCT2)


(Homo sapiens (Human))
BDBM350833
PNG
(US9795602, Compound 39)
Show SMILES CCN1[C@@H]2COCC[C@@H]2n2cc(C(=O)NCc3ccc(F)c(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20ClF2N3O5/c1-2-26-14-9-32-6-5-13(14)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(23)15(22)16(10)24/h3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30)/t13-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9795602 (2017)

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