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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'pergl-wilson' and Initial = 'g'   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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PubMed
580 -35.6n/an/an/an/an/a7.525



Piramed Pharma



Assay Description
Mammalian target of rapamycin (mTOR) was assayed by monitoring phosphorylation of GFP-4EBP using a homogeneous time-resolved fluorescence resonance e...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R]


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25021
PNG
(3-{6-[(dimethylamino)methyl]-4-(morpholin-4-yl)thi...)
Show SMILES CN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O2S/c1-22(2)12-15-11-16-17(26-15)19(23-6-8-25-9-7-23)21-18(20-16)13-4-3-5-14(24)10-13/h3-5,10-11,24H,6-9,12H2,1-2H3
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [E545K]


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25022
PNG
(3-(6-{[(2-methoxyethyl)(methyl)amino]methyl}-4-(mo...)
Show SMILES COCCN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O3S/c1-24(6-9-27-2)14-17-13-18-19(29-17)21(25-7-10-28-11-8-25)23-20(22-18)15-4-3-5-16(26)12-15/h3-5,12-13,26H,6-11,14H2,1-2H3
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n/an/a 4n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25019
PNG
(3-[6-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimid...)
Show SMILES Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
Show InChI InChI=1S/C17H17N3O2S/c1-11-9-14-15(23-11)17(20-5-7-22-8-6-20)19-16(18-14)12-3-2-4-13(21)10-12/h2-4,9-10,21H,5-8H2,1H3
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n/an/a 6n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25024
PNG
(3-(6-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-...)
Show SMILES OCCN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C23H29N5O3S/c29-11-8-26-4-6-27(7-5-26)16-19-15-20-21(32-19)23(28-9-12-31-13-10-28)25-22(24-20)17-2-1-3-18(30)14-17/h1-3,14-15,29-30H,4-13,16H2
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n/an/a 7n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 8n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25023
PNG
(3-{6-[(4-methylpiperazin-1-yl)methyl]-4-(morpholin...)
Show SMILES CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H27N5O2S/c1-25-5-7-26(8-6-25)15-18-14-19-20(30-18)22(27-9-11-29-12-10-27)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3
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n/an/a 10n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25020
PNG
(3-[7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimid...)
Show SMILES Cc1csc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C17H17N3O2S/c1-11-10-23-15-14(11)18-16(12-3-2-4-13(21)9-12)19-17(15)20-5-7-22-8-6-20/h2-4,9-10,21H,5-8H2,1H3
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n/an/a 21n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 33n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25027
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7OS/c1-28-5-7-29(8-6-28)15-16-13-20-21(32-16)23(30-9-11-31-12-10-30)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 44n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 75n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25025
PNG
(4-[2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]...)
Show SMILES C1CN(CCO1)c1nc(nc2ccsc12)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C17H15N5OS/c1-2-11(12-10-18-21-13(12)3-1)16-19-14-4-9-24-15(14)17(20-16)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,18,21)
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n/an/a 102n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 670n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25026
PNG
(4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]...)
Show SMILES C1CN(CCO1)c1nc(nc2ccsc12)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C17H15N5OS/c1-2-12-10-18-21-14(12)9-11(1)16-19-13-3-8-24-15(13)17(20-16)22-4-6-23-7-5-22/h1-3,8-10H,4-7H2,(H,18,21)
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n/an/a 2.45E+3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/an/an/a 8.20E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581833
PNG
(CHEMBL1949980)
Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1
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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581834
PNG
(CHEMBL5080252)
Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/an/an/a 8.48E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581833
PNG
(CHEMBL1949980)
Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1
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n/an/an/an/a 1.25E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581834
PNG
(CHEMBL5080252)
Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581835
PNG
(CHEMBL5085731)
Show SMILES COC(=O)c1ccc(cc1N)C(F)(F)F
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n/an/an/an/a 3.78E+3n/an/an/an/a


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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581836
PNG
(CHEBI:73244 | METHYL ANTHRANILATE)
Show SMILES COC(=O)c1ccccc1N
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n/an/an/an/a 3.00E+4n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581837
PNG
(CHEMBL5083598)
Show SMILES COC(=O)c1cc(I)c(cc1N)C(F)(F)F
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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581838
PNG
(CHEMBL5085939)
Show SMILES COC(=O)c1cc(-c2ncco2)c(cc1N)C(F)(F)F
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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581839
PNG
(CHEMBL5076850)
Show SMILES COC(=O)c1cc(-c2cccnc2)c(cc1N)C(F)(F)F
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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581840
PNG
(CHEMBL5091133)
Show SMILES COC(=O)c1cc(C2CCCO2)c(cc1N)C(F)(F)F
PDB

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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581841
PNG
(CHEMBL5085858)
Show SMILES COC(=O)c1nc(-c2ccco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 5.31E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581842
PNG
(CHEMBL5077730)
Show SMILES Nc1cc(c(cc1C(O)=O)-c1ccco1)C(F)(F)F
PDB

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n/an/an/an/a 5.83E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581843
PNG
(CHEMBL5085049)
Show SMILES CNC(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 1.86E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581844
PNG
(CHEMBL5077005)
Show SMILES CN(C)C(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
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n/an/an/an/a 3.00E+4n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581845
PNG
(CHEMBL5086285)
Show SMILES CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F
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n/an/an/an/a 250n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581846
PNG
(CHEMBL5093146)
Show SMILES Nc1cc(c(Br)nc1C(=O)NCCC(F)(F)F)C(F)(F)F
PDB

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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581847
PNG
(CHEMBL5082261)
Show SMILES CC(O)CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F
PDB

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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581848
PNG
(CHEMBL5081202)
Show SMILES Nc1cc(c(Br)nc1C(=O)NC[C@H](O)C(F)(F)F)C(F)(F)F |r|
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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581849
PNG
(CHEMBL5087757)
Show SMILES Nc1cc(c(Br)nc1C(=O)NC[C@@H](O)C(F)(F)F)C(F)(F)F |r|
PDB

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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 |r|
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
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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 |r|
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
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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581850
PNG
(CHEMBL5071764)
Show SMILES CC(C)(O)CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 77n/an/an/an/a


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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581851
PNG
(CHEMBL5075860)
Show SMILES Nc1cc(c(Br)nc1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F
PDB

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n/an/an/an/a 10n/an/an/an/a


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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581852
PNG
(CHEMBL5079547)
Show SMILES CC(O)(CNC(=O)c1ncc(cc1N)C(F)(F)F)C(F)(F)F
PDB

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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581853
PNG
(CHEMBL5083308)
Show SMILES Cc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581854
PNG
(CHEMBL5076312)
Show SMILES CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

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Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581854
PNG
(CHEMBL5076312)
Show SMILES CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297409
PNG
(US10117858, Example 16 | US20240058315, Example 17)
Show SMILES C[C@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
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

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581855
PNG
(CHEMBL5075105)
Show SMILES CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 276n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
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