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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50049237   
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 (Human))
BDBM50237251
PNG
(CHEMBL4101279)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2ccccn2)c1=O
Show InChI InChI=1S/C20H14N4O3/c25-20-19(14-6-5-8-16(12-14)24(26)27)22-17-9-1-2-10-18(17)23(20)13-15-7-3-4-11-21-15/h1-12H,13H2
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n/an/an/an/a 52n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237252
PNG
(CHEMBL4071923)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2cccs2)c1=O
Show InChI InChI=1S/C19H13N3O3S/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2
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n/an/an/an/a 70n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237253
PNG
(CHEMBL4077230)
Show SMILES CC(=O)Nc1ccc(cc1-c1nc2cccc3OCCn(c23)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C18H14N4O5/c1-10(23)19-13-6-5-11(22(25)26)9-12(13)16-18(24)21-7-8-27-15-4-2-3-14(20-16)17(15)21/h2-6,9H,7-8H2,1H3,(H,19,23)
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n/an/an/an/a 820n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237254
PNG
(CHEMBL4071179)
Show SMILES Nc1ccc(cc1-c1nc2cccc3OCC(c4ccccc4)n(c23)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O4/c23-16-10-9-14(26(28)29)11-15(16)20-22(27)25-18(13-5-2-1-3-6-13)12-30-19-8-4-7-17(24-20)21(19)25/h1-11,18H,12,23H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237255
PNG
(CHEMBL4081731)
Show SMILES [O-][N+](=O)c1ccc2nc3n(Cc4ccccc4)c4ccc(cc4nc3c2c1)C(F)(F)F
Show InChI InChI=1S/C22H13F3N4O2/c23-22(24,25)14-6-9-19-18(10-14)26-20-16-11-15(29(30)31)7-8-17(16)27-21(20)28(19)12-13-4-2-1-3-5-13/h1-11H,12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237256
PNG
(CHEMBL4068723)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H15N3O3/c25-21-20(16-9-6-10-17(13-16)24(26)27)22-18-11-4-5-12-19(18)23(21)14-15-7-2-1-3-8-15/h1-13H,14H2
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n/an/an/an/a 21n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in forskolin-stimulated basolateral membrane permeabilized FRT cells assessed as increase in short-circuit current...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237257
PNG
(CHEMBL4064970)
Show SMILES COC(=O)c1ccc(c(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C23H17N3O5/c1-31-23(28)16-11-12-19(26(29)30)17(13-16)21-22(27)25(14-15-7-3-2-4-8-15)20-10-6-5-9-18(20)24-21/h2-13H,14H2,1H3
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n/an/an/an/a 9.90E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237258
PNG
(CHEMBL4089825)
Show SMILES OC(=O)c1ccc(c(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C22H15N3O5/c26-21-20(16-12-15(22(27)28)10-11-18(16)25(29)30)23-17-8-4-5-9-19(17)24(21)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237259
PNG
(CHEMBL4103866)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H15N3O3/c25-21-20(16-10-4-6-12-18(16)24(26)27)22-17-11-5-7-13-19(17)23(21)14-15-8-2-1-3-9-15/h1-13H,14H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237260
PNG
(CHEMBL4085942)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H15N3O3/c25-21-20(16-10-12-17(13-11-16)24(26)27)22-18-8-4-5-9-19(18)23(21)14-15-6-2-1-3-7-15/h1-13H,14H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237261
PNG
(CHEMBL4066115)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H15F3N2O/c23-22(24,25)17-12-10-16(11-13-17)20-21(28)27(14-15-6-2-1-3-7-15)19-9-5-4-8-18(19)26-20/h1-13H,14H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237262
PNG
(CHEMBL4074724)
Show SMILES O=c1c(nc2ccccc2n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O/c24-21-20(17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2
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n/an/an/an/a 5.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237263
PNG
(CHEMBL4101412)
Show SMILES [O-][N+](=O)c1cc(ccc1F)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H14FN3O3/c22-16-11-10-15(12-19(16)25(27)28)20-21(26)24(13-14-6-2-1-3-7-14)18-9-5-4-8-17(18)23-20/h1-12H,13H2
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n/an/an/an/a 690n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237264
PNG
(CHEMBL4063348)
Show SMILES Nc1ccc(cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O)C(O)=O
Show InChI InChI=1S/C22H17N3O3/c23-17-11-10-15(22(27)28)12-16(17)20-21(26)25(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)24-20/h1-12H,13,23H2,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237265
PNG
(CHEMBL4069832)
Show SMILES O=c1c(nc2ccccc2n1Cc1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H15N3O/c23-14-17-9-6-10-18(13-17)21-22(26)25(15-16-7-2-1-3-8-16)20-12-5-4-11-19(20)24-21/h1-13H,15H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237266
PNG
(CHEMBL4097026)
Show SMILES O=c1c(nc2ccccc2n1Cc1ccccc1)-c1ccc2nonc2c1
Show InChI InChI=1S/C21H14N4O2/c26-21-20(15-10-11-16-18(12-15)24-27-23-16)22-17-8-4-5-9-19(17)25(21)13-14-6-2-1-3-7-14/h1-12H,13H2
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n/an/an/an/a 18n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237267
PNG
(CHEMBL4083185)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H14ClN3O3/c22-16-9-10-19-18(12-16)23-20(15-7-4-8-17(11-15)25(27)28)21(26)24(19)13-14-5-2-1-3-6-14/h1-12H,13H2
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n/an/an/an/a 70n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237268
PNG
(CHEMBL4099611)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2c(Cl)cccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H14ClN3O3/c22-17-10-5-11-18-20(17)23-19(15-8-4-9-16(12-15)25(27)28)21(26)24(18)13-14-6-2-1-3-7-14/h1-12H,13H2
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n/an/an/an/a 110n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237269
PNG
(CHEMBL4072713)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2cc(Cl)c(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H13Cl2N3O3/c22-16-10-18-19(11-17(16)23)25(12-13-5-2-1-3-6-13)21(27)20(24-18)14-7-4-8-15(9-14)26(28)29/h1-11H,12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237270
PNG
(CHEMBL4084118)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2cc(F)c(F)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H13F2N3O3/c22-16-10-18-19(11-17(16)23)25(12-13-5-2-1-3-6-13)21(27)20(24-18)14-7-4-8-15(9-14)26(28)29/h1-11H,12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237271
PNG
(CHEMBL4102104)
Show SMILES Cc1cccc2nc(-c3cccc(c3)[N+]([O-])=O)c(=O)n(Cc3ccccc3)c12
Show InChI InChI=1S/C22H17N3O3/c1-15-7-5-12-19-21(15)24(14-16-8-3-2-4-9-16)22(26)20(23-19)17-10-6-11-18(13-17)25(27)28/h2-13H,14H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237272
PNG
(CHEMBL4068990)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C14H9N3O3/c18-14-13(9-4-3-5-10(8-9)17(19)20)15-11-6-1-2-7-12(11)16-14/h1-8H,(H,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237273
PNG
(CHEMBL4082320)
Show SMILES Cn1c2ccccc2nc(-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C15H11N3O3/c1-17-13-8-3-2-7-12(13)16-14(15(17)19)10-5-4-6-11(9-10)18(20)21/h2-9H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237274
PNG
(CHEMBL4060418)
Show SMILES CCn1c2ccccc2nc(-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H13N3O3/c1-2-18-14-9-4-3-8-13(14)17-15(16(18)20)11-6-5-7-12(10-11)19(21)22/h3-10H,2H2,1H3
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n/an/an/an/a 65n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237275
PNG
(CHEMBL4098817)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(CC=C)c1=O
Show InChI InChI=1S/C17H13N3O3/c1-2-10-19-15-9-4-3-8-14(15)18-16(17(19)21)12-6-5-7-13(11-12)20(22)23/h2-9,11H,1,10H2
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n/an/an/an/a 55n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237276
PNG
(CHEMBL4091072)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C25H17N3O3/c29-25-24(20-8-5-9-21(15-20)28(30)31)26-22-10-3-4-11-23(22)27(25)16-17-12-13-18-6-1-2-7-19(18)14-17/h1-15H,16H2
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n/an/an/an/a 4.30E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237277
PNG
(CHEMBL4086433)
Show SMILES Nc1ccc(cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-17-11-10-15(25(27)28)12-16(17)20-21(26)24(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)23-20/h1-12H,13,22H2
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n/an/an/an/a 200n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237256
PNG
(CHEMBL4068723)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H15N3O3/c25-21-20(16-9-6-10-17(13-16)24(26)27)22-18-11-4-5-12-19(18)23(21)14-15-7-2-1-3-8-15/h1-13H,14H2
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n/an/an/an/a 9n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237278
PNG
(CHEMBL4093693)
Show SMILES Brc1cccc(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H15BrN2O/c22-17-10-6-9-16(13-17)20-21(25)24(14-15-7-2-1-3-8-15)19-12-5-4-11-18(19)23-20/h1-13H,14H2
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n/an/an/an/a 330n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237279
PNG
(CHEMBL4084994)
Show SMILES COC(=O)c1ccc(N)c(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H19N3O3/c1-29-23(28)16-11-12-18(24)17(13-16)21-22(27)26(14-15-7-3-2-4-8-15)20-10-6-5-9-19(20)25-21/h2-13H,14,24H2,1H3
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n/an/an/an/a 550n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237280
PNG
(CHEMBL4061323)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccc(Cl)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H14ClN3O3/c22-16-9-10-18-19(12-16)24(13-14-5-2-1-3-6-14)21(26)20(23-18)15-7-4-8-17(11-15)25(27)28/h1-12H,13H2
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n/an/an/an/a 760n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237281
PNG
(CHEMBL4064125)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2cc(Br)ccc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H14BrN3O3/c22-16-9-10-19-18(12-16)23-20(15-7-4-8-17(11-15)25(27)28)21(26)24(19)13-14-5-2-1-3-6-14/h1-12H,13H2
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n/an/an/an/a 63n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237282
PNG
(CHEMBL4096257)
Show SMILES Cc1cc2nc(-c3cccc(c3)[N+]([O-])=O)c(=O)n(Cc3ccccc3)c2cc1C
Show InChI InChI=1S/C23H19N3O3/c1-15-11-20-21(12-16(15)2)25(14-17-7-4-3-5-8-17)23(27)22(24-20)18-9-6-10-19(13-18)26(28)29/h3-13H,14H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237283
PNG
(CHEMBL4071817)
Show SMILES CCCn1c2ccccc2nc(-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C17H15N3O3/c1-2-10-19-15-9-4-3-8-14(15)18-16(17(19)21)12-6-5-7-13(11-12)20(22)23/h3-9,11H,2,10H2,1H3
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n/an/an/an/a 177n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237284
PNG
(CHEMBL4083281)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2ccco2)c1=O
Show InChI InChI=1S/C19H13N3O4/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2
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n/an/an/an/a 20n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237285
PNG
(CHEMBL4092001)
Show SMILES Fc1ccc2nc3n(Cc4ccccc4)c4ccc(cc4nc3c2c1)C(F)(F)F
Show InChI InChI=1S/C22H13F4N3/c23-15-7-8-17-16(11-15)20-21(28-17)29(12-13-4-2-1-3-5-13)19-9-6-14(22(24,25)26)10-18(19)27-20/h1-11H,12H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237252
PNG
(CHEMBL4071923)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2cccs2)c1=O
Show InChI InChI=1S/C19H13N3O3S/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2
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n/an/an/an/a 10n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured af...


J Med Chem 60: 2401-2410 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01759
BindingDB Entry DOI: 10.7270/Q2SN0C70
More data for this
Ligand-Target Pair