BindingDB logo
myBDB logout

Patent code US10117858

Compile Data Set for Download or QSAR
Found 15 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
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297400
PNG
(US10117858, Example 4 | US10117858, Example 6)
Show SMILES COc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 76n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297397
PNG
(US10117858, Example 10 | US10117858, Example 9)
Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 112n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297405
PNG
(5-Amino-6′-methyl-3-trifluoromethyl-[2,3R...)
Show SMILES Cc1ccc(cn1)-c1nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C17H13F9N4O2/c1-7-2-3-8(5-28-7)11-9(15(18,19)20)4-10(27)12(30-11)13(31)29-6-14(32,16(21,22)23)17(24,25)26/h2-5,32H,6,27H2,1H3,(H,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 115n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297406
PNG
(3-Amino-6-(4-fluoro-phenyl)-5-trifluoromethyl-pyri...)
Show SMILES C[C@](O)(CNC(=O)c1nc(-c2ccc(F)cc2)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F7N3O2/c1-15(29,17(22,23)24)7-26-14(28)13-11(25)6-10(16(19,20)21)12(27-13)8-2-4-9(18)5-3-8/h2-6,29H,7,25H2,1H3,(H,26,28)/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 40n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297407
PNG
(5-Amino-6′-methyl-3-trifluoromethyl-[2,3R...)
Show SMILES Cc1ccc(cn1)-c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C17H16F6N4O2/c1-8-3-4-9(6-25-8)12-10(16(18,19)20)5-11(24)13(27-12)14(28)26-7-15(2,29)17(21,22)23/h3-6,29H,7,24H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 51n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297410
PNG
(US10117858, Example 17)
Show SMILES C[C@@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H10F9N3O2/c1-9(26,12(19,20)21)3-23-8(25)6-5(22)2-4(10(13,14)15)7(24-6)11(16,17)18/h2,26H,3,22H2,1H3,(H,23,25)/t9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 10n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297401
PNG
(3-Amino-6-(4-fluoro-phenyl)-5-trifluoromethyl-pyri...)
Show SMILES CC(C)(O)CNC(=O)c1nc(-c2ccc(F)cc2)c(cc1N)C(F)(F)F
Show InChI InChI=1S/C17H17F4N3O2/c1-16(2,26)8-23-15(25)14-12(22)7-11(17(19,20)21)13(24-14)9-3-5-10(18)6-4-9/h3-7,26H,8,22H2,1-2H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 37n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297398
PNG
(3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...)
Show SMILES C[C@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297402
PNG
(US10117858, Example 5)
Show SMILES COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 50n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297409
PNG
(US10117858, Example 16)
Show SMILES C[C@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H10F9N3O2/c1-9(26,12(19,20)21)3-23-8(25)6-5(22)2-4(10(13,14)15)7(24-6)11(16,17)18/h2,26H,3,22H2,1H3,(H,23,25)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297403
PNG
(3-Amino-6-methoxy-5-trifluoromethyl-pyridine-2-car...)
Show SMILES COc1nc(C(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C11H11F6N3O3/c1-23-9-4(10(12,13)14)2-5(18)7(20-9)8(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 35n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297400
PNG
(US10117858, Example 4 | US10117858, Example 6)
Show SMILES COc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 426n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297396
PNG
(3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...)
Show SMILES C[C@@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297397
PNG
(US10117858, Example 10 | US10117858, Example 9)
Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 90n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM297408
PNG
(3-Amino-6-(4-fluoro-phenyl)-5-trifluoromethyl-pyri...)
Show SMILES C[C@@](O)(CNC(=O)c1nc(-c2ccc(F)cc2)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F7N3O2/c1-15(29,17(22,23)24)7-26-14(28)13-11(25)6-10(16(19,20)21)12(27-13)8-2-4-9(18)5-3-8/h2-6,29H,7,25H2,1H3,(H,26,28)/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 60n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)

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