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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'mutton' and Initial = 's'   
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 protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221982
PNG
(US9303035, 6)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(F)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H19ClFN3O5/c1-25-18-16(21(29)26(2)22(25)30)17(11-4-3-5-12(24)8-11)27-9-13(10-28)31-20(19(18)27)14-6-7-15(23)32-14/h3-8,13,20,28H,9-10H2,1-2H3/t13-,20+/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0500n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221986
PNG
(US9303035, 8.0a)
Show SMILES Cn1c2c3[C@H](O[C@@H](CO)Cn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C21H18Cl2N4O4S/c1-25-16-14(20(29)26(2)21(25)30)15(10-4-3-5-11(22)6-10)27-7-12(8-28)31-18(17(16)27)19-24-13(23)9-32-19/h3-6,9,12,18,28H,7-8H2,1-2H3/t12-,18+/m1/s1
UniProtKB/TrEMBL

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



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221984
PNG
(US9303035, 7.0a)
Show SMILES Cc1csc(n1)-c1n2CC(CO)OC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1/C20H19ClN4O5S/c1-9-8-31-18(22-9)15-13-14(23(2)20(28)24(3)19(13)27)16-17(11-4-5-12(21)30-11)29-10(7-26)6-25(15)16/h4-5,8,10,17,26H,6-7H2,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221987
PNG
(US9303035, 8.1a)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H19Cl2N3O5/c1-25-18-16(21(29)26(2)22(25)30)17(11-4-3-5-12(23)8-11)27-9-13(10-28)31-20(19(18)27)14-6-7-15(24)32-14/h3-8,13,20,28H,9-10H2,1-2H3/t13-,20+/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.120n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221992
PNG
(US9303035, 12.2)
Show SMILES COCC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1/C23H21Cl2N3O5/c1-26-19-17(22(29)27(2)23(26)30)18(12-5-4-6-13(24)9-12)28-10-14(11-31-3)32-21(20(19)28)15-7-8-16(25)33-15/h4-9,14,21H,10-11H2,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.240n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221983
PNG
(US9303035, 6.1)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C23H19ClN4O5/c1-26-19-17(22(30)27(2)23(26)31)18(13-5-3-4-12(8-13)9-25)28-10-14(11-29)32-21(20(19)28)15-6-7-16(24)33-15/h3-8,14,21,29H,10-11H2,1-2H3/t14-,21+/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.240n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221989
PNG
(US9303035, 11a)
Show SMILES Cn1c2c3[C@@H](N[C@@H](CO)Cn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H21ClN4O4/c1-25-19-16(21(29)26(2)22(25)30)18(12-6-4-3-5-7-12)27-10-13(11-28)24-17(20(19)27)14-8-9-15(23)31-14/h3-9,13,17,24,28H,10-11H2,1-2H3/t13-,17+/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.310n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221993
PNG
(US9303035, 12.4)
Show SMILES CN(C)CC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1/C24H24Cl2N4O4/c1-27(2)11-15-12-30-19(13-6-5-7-14(25)10-13)18-20(28(3)24(32)29(4)23(18)31)21(30)22(33-15)16-8-9-17(26)34-16/h5-10,15,22H,11-12H2,1-4H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.540n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221967
PNG
(US9303035, 2.9)
Show SMILES Cn1c2c3C(NCCn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1/C22H18ClN5O3/c1-26-19-16(21(29)27(2)22(26)30)18(13-5-3-4-12(10-13)11-24)28-9-8-25-17(20(19)28)14-6-7-15(23)31-14/h3-7,10,17,25H,8-9H2,1-2H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221990
PNG
(US9303035, 12)
Show SMILES CC1Cn2c(C(O1)c1nc(C)cs1)c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1/C22H22N4O3S/c1-12-11-30-20(23-12)19-18-17-15(21(27)25(4)22(28)24(17)3)16(14-8-6-5-7-9-14)26(18)10-13(2)29-19/h5-9,11,13,19H,10H2,1-4H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221985
PNG
(US9303035, 7.1a)
Show SMILES Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3nc(CO)cs3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H19ClN4O6S/c1-23-14-13(19(28)24(2)20(23)29)15(18-22-9(6-26)8-32-18)25-5-10(7-27)30-17(16(14)25)11-3-4-12(21)31-11/h3-4,8,10,17,26-27H,5-7H2,1-2H3/t10-,17+/m0/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.610n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221994
PNG
(US9303035, 12.5)
Show SMILES Cn1c2c3C(OC(C)(C)Cn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1/C23H22ClN3O4/c1-23(2)12-27-17(13-8-6-5-7-9-13)16-18(25(3)22(29)26(4)21(16)28)19(27)20(31-23)14-10-11-15(24)30-14/h5-11,20H,12H2,1-4H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221970
PNG
(US9303035, 3.2)
Show SMILES Cc1csc(n1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1/C21H20ClN5O2S/c1-11-10-30-19(24-11)15-18-17-14(20(28)26(3)21(29)25(17)2)16(27(18)8-7-23-15)12-5-4-6-13(22)9-12/h4-6,9-10,15,23H,7-8H2,1-3H3
UniProtKB/TrEMBL

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.640n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221969
PNG
(US9303035, 3.1)
Show SMILES Cn1c2c3C(NCCn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1/C21H18Cl2N4O3/c1-25-18-15(20(28)26(2)21(25)29)17(11-4-3-5-12(22)10-11)27-9-8-24-16(19(18)27)13-6-7-14(23)30-13/h3-7,10,16,24H,8-9H2,1-2H3
UniProtKB/TrEMBL

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221952
PNG
(US9303035, 1.2)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccco1
Show InChI InChI=1/C21H20N4O3/c1-23-18-15(20(26)24(2)21(23)27)17(13-7-4-3-5-8-13)25-11-10-22-16(19(18)25)14-9-6-12-28-14/h3-9,12,16,22H,10-11H2,1-2H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.58n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221958
PNG
(US9303035, 1.26)
Show SMILES Cc1csc(n1)-c1n2CCNC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1/C19H18ClN5O3S/c1-9-8-29-17(22-9)15-12-14(23(2)19(27)24(3)18(12)26)16-13(21-6-7-25(15)16)10-4-5-11(20)28-10/h4-5,8,13,21H,6-7H2,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221996
PNG
(US9303035, 14)
Show SMILES Cn1c2c3C(COC(CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1/C23H20ClN5O4S/c1-27-20-17(22(31)28(2)23(27)32)18(13-5-3-4-12(6-13)7-25)29-8-14(9-30)33-10-15(19(20)29)21-26-16(24)11-34-21/h3-6,11,14-15,30H,8-10H2,1-2H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.96n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221978
PNG
(US9303035, 4.1 | US9303035, 4.3)
Show SMILES Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1/C22H21N3O4/c1-13-9-10-15(29-13)20-19-18-16(21(26)24(3)22(27)23(18)2)17(25(19)11-12-28-20)14-7-5-4-6-8-14/h4-10,20H,11-12H2,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221981
PNG
(US9303035, 5.1)
Show SMILES C[C@@H]1COC(c2nc(C)cs2)c2n1c(-c1ccccc1)c1c2n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C22H22N4O3S/c1-12-11-30-20(23-12)19-18-17-15(21(27)25(4)22(28)24(17)3)16(14-8-6-5-7-9-14)26(18)13(2)10-29-19/h5-9,11,13,19H,10H2,1-4H3/t13-,19?/m1/s1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.24n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221995
PNG
(US9303035, 13)
Show SMILES Cn1c2c3C(COCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1/C21H19ClN4O3S/c1-24-18-15(20(27)25(2)21(24)28)16(12-6-4-3-5-7-12)26-8-9-29-10-13(17(18)26)19-23-14(22)11-30-19/h3-7,11,13H,8-10H2,1-2H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.53n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221978
PNG
(US9303035, 4.1 | US9303035, 4.3)
Show SMILES Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1/C22H21N3O4/c1-13-9-10-15(29-13)20-19-18-16(21(26)24(3)22(27)23(18)2)17(25(19)11-12-28-20)14-7-5-4-6-8-14/h4-10,20H,11-12H2,1-3H3
UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 4.23n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221934
PNG
(US9303035, 1.1)
Show SMILES Cc1ccc(o1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1/C22H22N4O3/c1-13-9-10-15(29-13)17-20-19-16(21(27)25(3)22(28)24(19)2)18(26(20)12-11-23-17)14-7-5-4-6-8-14/h4-10,17,23H,11-12H2,1-3H3
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US Patent
n/an/a 4.64n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221941
PNG
(US9303035, 1.9 | US9303035, 2.4)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(cs1)C(F)(F)F
Show InChI InChI=1/C21H18F3N5O2S/c1-27-16-13(19(30)28(2)20(27)31)15(11-6-4-3-5-7-11)29-9-8-25-14(17(16)29)18-26-12(10-32-18)21(22,23)24/h3-7,10,14,25H,8-9H2,1-2H3
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n/an/a 4.98n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221991
PNG
(US9303035, 12.1)
Show SMILES CC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(C)c1
Show InChI InChI=1/C23H22ClN3O4/c1-12-6-5-7-14(10-12)18-17-19(25(3)23(29)26(4)22(17)28)20-21(15-8-9-16(24)31-15)30-13(2)11-27(18)20/h5-10,13,21H,11H2,1-4H3
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n/an/a 5.07n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221939
PNG
(US9303035, 1.7)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nccs1
Show InChI InChI=1/C20H19N5O2S/c1-23-16-13(19(26)24(2)20(23)27)15(12-6-4-3-5-7-12)25-10-8-21-14(17(16)25)18-22-9-11-28-18/h3-7,9,11,14,21H,8,10H2,1-2H3
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n/an/a 5.42n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221941
PNG
(US9303035, 1.9 | US9303035, 2.4)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(cs1)C(F)(F)F
Show InChI InChI=1/C21H18F3N5O2S/c1-27-16-13(19(30)28(2)20(27)31)15(11-6-4-3-5-7-11)29-9-8-25-14(17(16)29)18-26-12(10-32-18)21(22,23)24/h3-7,10,14,25H,8-9H2,1-2H3
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n/an/a 6.31n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221942
PNG
(US9303035, 1.10)
Show SMILES CCc1ccc(o1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1/C23H24N4O3/c1-4-15-10-11-16(30-15)18-21-20-17(22(28)26(3)23(29)25(20)2)19(27(21)13-12-24-18)14-8-6-5-7-9-14/h5-11,18,24H,4,12-13H2,1-3H3
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n/an/a 6.37n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221964
PNG
(US9303035, 2.6)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1/C23H28N4O2/c1-25-20-17(22(28)26(2)23(25)29)19(16-11-7-4-8-12-16)27-14-13-24-18(21(20)27)15-9-5-3-6-10-15/h4,7-8,11-12,15,18,24H,3,5-6,9-10,13-14H2,1-2H3
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n/an/a 7.62n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221988
PNG
(US9303035, 9b)
Show SMILES Cn1c2c3C(OC(CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1/C22H18ClN5O4S/c1-26-17-15(21(30)27(2)22(26)31)16(12-5-3-4-11(6-12)7-24)28-8-13(9-29)32-19(18(17)28)20-25-14(23)10-33-20/h3-6,10,13,19,29H,8-9H2,1-2H3
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n/an/a 8.06n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221974
PNG
(US9303035, 3.6)
Show SMILES Cc1cc(C)cc(c1)-c1n2CCNC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1/C23H23ClN4O3/c1-12-9-13(2)11-14(10-12)19-17-20(26(3)23(30)27(4)22(17)29)21-18(25-7-8-28(19)21)15-5-6-16(24)31-15/h5-6,9-11,18,25H,7-8H2,1-4H3
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n/an/a 8.26n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221944
PNG
(US9303035, 1.12)
Show SMILES Cn1ccc(n1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1/C21H22N6O2/c1-24-11-9-14(23-24)16-19-18-15(20(28)26(3)21(29)25(18)2)17(27(19)12-10-22-16)13-7-5-4-6-8-13/h4-9,11,16,22H,10,12H2,1-3H3
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n/an/a 10.8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221946
PNG
(US9303035, 1.14)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1cccc(F)c1F
Show InChI InChI=1/C23H20F2N4O2/c1-27-20-16(22(30)28(2)23(27)31)19(13-7-4-3-5-8-13)29-12-11-26-18(21(20)29)14-9-6-10-15(24)17(14)25/h3-10,18,26H,11-12H2,1-2H3
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n/an/a 11.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221949
PNG
(US9303035, 1.17)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)C1CCC=CC1 |c:30|
Show InChI InChI=1/C23H26N4O2/c1-25-20-17(22(28)26(2)23(25)29)19(16-11-7-4-8-12-16)27-14-13-24-18(21(20)27)15-9-5-3-6-10-15/h3-5,7-8,11-12,15,18,24H,6,9-10,13-14H2,1-2H3
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n/an/a 18.1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384248
PNG
(CHEMBL2030451)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30)
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n/an/a 28n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221955
PNG
(US9303035, 1.23)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN4O2/c1-26-20-17(22(29)27(2)23(26)30)19(15-6-4-3-5-7-15)28-13-12-25-18(21(20)28)14-8-10-16(24)11-9-14/h3-11,18,25H,12-13H2,1-2H3
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US Patent
n/an/a 29.9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221979
PNG
(US9303035, 4.2)
Show SMILES Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1 |r|
Show InChI InChI=1/C22H18ClN5O4S/c1-26-17-15(21(30)27(2)22(26)31)16(12-5-3-4-11(6-12)7-24)28-8-13(9-29)32-19(18(17)28)20-25-14(23)10-33-20/h3-6,10,13,19,29H,8-9H2,1-2H3/t13-,19-/s2
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n/an/a>30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221935
PNG
(US9303035, 1.3)
Show SMILES Cc1ccc(o1)[C@H]1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1 |r|
Show InChI InChI=1/C22H22N4O3/c1-13-9-10-15(29-13)17-20-19-16(21(27)25(3)22(28)24(19)2)18(26(20)12-11-23-17)14-7-5-4-6-8-14/h4-10,17,23H,11-12H2,1-3H3/t17-/s2
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n/an/a>30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384249
PNG
(CHEMBL2030450)
Show SMILES CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1
Show InChI InChI=1S/C14H17N5O5S/c1-25(21,22)9-10-8-12(19-4-6-23-7-5-19)17-14(16-10)18-13(20)11-2-3-15-24-11/h2-3,8H,4-7,9H2,1H3,(H,16,17,18,20)
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384250
PNG
(CHEMBL2030448)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2
Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3
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n/an/a 252n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384252
PNG
(CHEMBL2029359)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)11-14-9-15(22-4-6-25-7-5-22)21-17(20-14)13-8-12-2-3-18-16(12)19-10-13/h2-3,8-10H,4-7,11H2,1H3,(H,18,19)
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n/an/a 262n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384253
PNG
(CHEMBL2030445)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
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n/an/a 285n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384247
PNG
(CHEMBL2030436)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1
Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3
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n/an/a 288n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384251
PNG
(CHEMBL2030446)
Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384256
PNG
(CHEMBL2030447)
Show SMILES C[C@@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C19H22N4O3S/c1-13-11-26-8-7-23(13)18-10-16(12-27(2,24)25)21-19(22-18)15-3-4-17-14(9-15)5-6-20-17/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50384248
PNG
(CHEMBL2030451)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30)
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n/an/a 565n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384258
PNG
(CHEMBL2030443)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc(CO)c1)N1CCOCC1
Show InChI InChI=1S/C17H21N3O4S/c1-25(22,23)12-15-10-16(20-5-7-24-8-6-20)19-17(18-15)14-4-2-3-13(9-14)11-21/h2-4,9-10,21H,5-8,11-12H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50384252
PNG
(CHEMBL2029359)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)11-14-9-15(22-4-6-25-7-5-22)21-17(20-14)13-8-12-2-3-18-16(12)19-10-13/h2-3,8-10H,4-7,11H2,1H3,(H,18,19)
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n/an/a 980n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50384253
PNG
(CHEMBL2030445)
Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1
Show InChI InChI=1S/C17H19N5O3S/c1-26(23,24)10-13-9-16(22-4-6-25-7-5-22)21-17(20-13)12-2-3-14-15(8-12)19-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)
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n/an/a 1.06E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384261
PNG
(CHEMBL2030439)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C20H19FN4O3S/c21-15-4-6-17(7-5-15)29(26,27)14-16-13-19(25-9-11-28-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
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n/an/a 1.38E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50384255
PNG
(CHEMBL1312643)
Show SMILES O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C20H20N4O3S/c25-28(26,17-6-2-1-3-7-17)15-16-14-19(24-10-12-27-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2
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n/an/a 1.41E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...


Bioorg Med Chem Lett 22: 4163-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.036
BindingDB Entry DOI: 10.7270/Q2N017KD
More data for this
Ligand-Target Pair
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