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Compile Data Set for Download or QSAR

Found 426 hits Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator'   
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


(Rattus norvegicus)
BDBM50130996
PNG
(2-{3-[2-(4-Bromo-benzyloxy)-phenyl]-isoxazol-5-yl}...)
Show SMILES OCCc1cc(no1)-c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C18H16BrNO3/c19-14-7-5-13(6-8-14)12-22-18-4-2-1-3-16(18)17-11-15(9-10-21)23-20-17/h1-8,11,21H,9-10,12H2
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n/an/an/a 2.30E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
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/a 4.00E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130995
PNG
(CHEMBL81937 | {3-[2-(4-Methoxy-benzyloxy)-phenyl]-...)
Show SMILES COc1ccc(COc2ccccc2C2=NOC(CO)C2)cc1
Show InChI InChI=1S/C18H19NO4/c1-21-14-8-6-13(7-9-14)12-22-18-5-3-2-4-16(18)17-10-15(11-20)23-19-17/h2-9,15,20H,10-12H2,1H3
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n/an/an/a 4.90E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130998
PNG
(3-[2-(4-Methoxy-benzyloxy)-phenyl]-4,5-dihydro-iso...)
Show SMILES COC(=O)C1CC(=NO1)c1ccccc1OCc1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO5/c1-22-14-9-7-13(8-10-14)12-24-17-6-4-3-5-15(17)16-11-18(25-20-16)19(21)23-2/h3-10,18H,11-12H2,1-2H3
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n/an/an/a 5.00E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130987
PNG
(5-Chloromethyl-3-[2-(4-methoxy-benzyloxy)-phenyl]-...)
Show SMILES COc1ccc(COc2ccccc2C2=NOC(CCl)C2)cc1
Show InChI InChI=1S/C18H18ClNO3/c1-21-14-8-6-13(7-9-14)12-22-18-5-3-2-4-16(18)17-10-15(11-19)23-20-17/h2-9,15H,10-12H2,1H3
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n/an/an/a 5.90E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130988
PNG
(2-{3-[2-(4-Methoxy-benzyloxy)-phenyl]-isoxazol-5-y...)
Show SMILES COc1ccc(COc2ccccc2-c2cc(CCO)on2)cc1
Show InChI InChI=1S/C19H19NO4/c1-22-15-8-6-14(7-9-15)13-23-19-5-3-2-4-17(19)18-12-16(10-11-21)24-20-18/h2-9,12,21H,10-11,13H2,1H3
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n/an/an/a 6.10E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50131000
PNG
(CHEMBL312783 | {3-[2-(4-Methoxy-benzyloxy)-phenyl]...)
Show SMILES COc1ccc(COc2ccccc2-c2cc(CO)on2)cc1
Show InChI InChI=1S/C18H17NO4/c1-21-14-8-6-13(7-9-14)12-22-18-5-3-2-4-16(18)17-10-15(11-20)23-19-17/h2-10,20H,11-12H2,1H3
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n/an/an/a 6.40E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130989
PNG
(5-Chloromethyl-3-[2-(3-methoxy-benzyloxy)-phenyl]-...)
Show SMILES COc1cccc(COc2ccccc2C2=NOC(CCl)C2)c1
Show InChI InChI=1S/C18H18ClNO3/c1-21-14-6-4-5-13(9-14)12-22-18-8-3-2-7-16(18)17-10-15(11-19)23-20-17/h2-9,15H,10-12H2,1H3
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n/an/an/a 6.60E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130993
PNG
(CHEMBL84391 | {3-[2-(3-Methoxy-benzyloxy)-phenyl]-...)
Show SMILES COc1cccc(COc2ccccc2-c2cc(CO)on2)c1
Show InChI InChI=1S/C18H17NO4/c1-21-14-6-4-5-13(9-14)12-22-18-8-3-2-7-16(18)17-10-15(11-20)23-19-17/h2-10,20H,11-12H2,1H3
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n/an/an/a 7.20E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130997
PNG
(3-[2-(4-Bromo-benzyloxy)-phenyl]-4,5-dihydro-isoxa...)
Show SMILES COC(=O)C1CC(=NO1)c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C18H16BrNO4/c1-22-18(21)17-10-15(20-24-17)14-4-2-3-5-16(14)23-11-12-6-8-13(19)9-7-12/h2-9,17H,10-11H2,1H3
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n/an/an/a 7.30E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130994
PNG
(3-[2-(4-Bromo-benzyloxy)-phenyl]-isoxazole-5-carbo...)
Show SMILES COC(=O)c1cc(no1)-c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C18H14BrNO4/c1-22-18(21)17-10-15(20-24-17)14-4-2-3-5-16(14)23-11-12-6-8-13(19)9-7-12/h2-10H,11H2,1H3
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130980
PNG
(CHEMBL310408 | {3-[5-Bromo-2-(4-methoxy-benzyloxy)...)
Show SMILES COc1ccc(COc2ccc(Br)cc2-c2cc(CO)on2)cc1
Show InChI InChI=1S/C18H16BrNO4/c1-22-14-5-2-12(3-6-14)11-23-18-7-4-13(19)8-16(18)17-9-15(10-21)24-20-17/h2-9,21H,10-11H2,1H3
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n/an/an/a 1.04E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130985
PNG
(3-[2-(3-Methoxy-benzyloxy)-phenyl]-4,5-dihydro-iso...)
Show SMILES COC(=O)C1CC(=NO1)c1ccccc1OCc1cccc(OC)c1
Show InChI InChI=1S/C19H19NO5/c1-22-14-7-5-6-13(10-14)12-24-17-9-4-3-8-15(17)16-11-18(25-20-16)19(21)23-2/h3-10,18H,11-12H2,1-2H3
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n/an/an/a 1.10E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130992
PNG
(CHEMBL83374 | {3-[2-(3-Methoxy-benzyloxy)-phenyl]-...)
Show SMILES COc1cccc(COc2ccccc2C2=NOC(CO)C2)c1
Show InChI InChI=1S/C18H19NO4/c1-21-14-6-4-5-13(9-14)12-22-18-8-3-2-7-16(18)17-10-15(11-20)23-19-17/h2-9,15,20H,10-12H2,1H3
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n/an/an/a 1.15E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130999
PNG
(3-[5-Bromo-2-(4-methoxy-benzyloxy)-phenyl]-4,5-dih...)
Show SMILES COC(=O)C1CC(=NO1)c1cc(Br)ccc1OCc1ccc(OC)cc1
Show InChI InChI=1S/C19H18BrNO5/c1-23-14-6-3-12(4-7-14)11-25-17-8-5-13(20)9-15(17)16-10-18(26-21-16)19(22)24-2/h3-9,18H,10-11H2,1-2H3
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n/an/an/a 1.18E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130982
PNG
(CHEMBL85504 | {3-[2-(4-Bromo-benzyloxy)-phenyl]-is...)
Show SMILES OCc1cc(no1)-c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C17H14BrNO3/c18-13-7-5-12(6-8-13)11-21-17-4-2-1-3-15(17)16-9-14(10-20)22-19-16/h1-9,20H,10-11H2
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n/an/an/a 1.47E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130986
PNG
(2-{3-[2-(3-Methoxy-benzyloxy)-phenyl]-isoxazol-5-y...)
Show SMILES COc1cccc(COc2ccccc2-c2cc(CCO)on2)c1
Show InChI InChI=1S/C19H19NO4/c1-22-15-6-4-5-14(11-15)13-23-19-8-3-2-7-17(19)18-12-16(9-10-21)24-20-18/h2-8,11-12,21H,9-10,13H2,1H3
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n/an/an/a 1.77E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130981
PNG
(3-[2-(4-Bromo-benzyloxy)-phenyl]-5-chloromethyl-is...)
Show SMILES ClCc1cc(no1)-c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrClNO2/c18-13-7-5-12(6-8-13)11-21-17-4-2-1-3-15(17)16-9-14(10-19)22-20-16/h1-9H,10-11H2
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n/an/an/a 2.20E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130984
PNG
(3-[2-(4-Bromo-benzyloxy)-phenyl]-5-methoxymethyl-i...)
Show SMILES COCc1cc(no1)-c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C18H16BrNO3/c1-21-12-15-10-17(20-23-15)16-4-2-3-5-18(16)22-11-13-6-8-14(19)9-7-13/h2-10H,11-12H2,1H3
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n/an/an/a>3.00E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130983
PNG
(3-[5-Bromo-2-(4-methoxy-benzyloxy)-phenyl]-5-chlor...)
Show SMILES COc1ccc(COc2ccc(Br)cc2-c2cc(CCl)on2)cc1
Show InChI InChI=1S/C18H15BrClNO3/c1-22-14-5-2-12(3-6-14)11-23-18-7-4-13(19)8-16(18)17-9-15(10-20)24-21-17/h2-9H,10-11H2,1H3
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n/an/an/a>3.00E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130990
PNG
(5-Butyl-3-[2-(4-methoxy-benzyloxy)-phenyl]-isoxazo...)
Show SMILES CCCCc1cc(no1)-c1ccccc1OCc1ccc(OC)cc1
Show InChI InChI=1S/C21H23NO3/c1-3-4-7-18-14-20(22-25-18)19-8-5-6-9-21(19)24-15-16-10-12-17(23-2)13-11-16/h5-6,8-14H,3-4,7,15H2,1-2H3
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n/an/an/a>3.00E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Rattus norvegicus)
BDBM50130991
PNG
(3-[2-(4-Bromo-benzyloxy)-phenyl]-isoxazole-4,5-dic...)
Show SMILES COC(=O)c1onc(c1C(=O)OC)-c1ccccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C20H16BrNO6/c1-25-19(23)16-17(22-28-18(16)20(24)26-2)14-5-3-4-6-15(14)27-11-12-7-9-13(21)10-8-12/h3-10H,11H2,1-2H3
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n/an/an/a 3.57E+5n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined


Bioorg Med Chem Lett 13: 2509-12 (2003)


Article DOI: 10.1016/s0960-894x(03)00482-7
BindingDB Entry DOI: 10.7270/Q27D2TJS
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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81n/an/an/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated CFTR (unknown origin)


Eur J Med Chem 84: 206-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.013
BindingDB Entry DOI: 10.7270/Q2GH9KMN
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200228
PNG
(AB01275474-01 | cid_24871309)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50088373
PNG
(CHEBI:46295 | VARDENAFIL | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 140n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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n/an/a>2.50E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 3.43E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200229
PNG
(AB00694549-11 | Atropine | cid_174174)
Show SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
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n/an/a 2.14E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200230
PNG
(AB00984802-01 | cid_73673997)
Show SMILES COc1cc(\C=C(\C#N)c2nc(C)cs2)cc2OCOc12
Show InChI InChI=1S/C15H12N2O3S/c1-9-7-21-15(17-9)11(6-16)3-10-4-12(18-2)14-13(5-10)19-8-20-14/h3-5,7H,8H2,1-2H3/b11-3-
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n/an/a 2.10E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200231
PNG
(AB01004372-01 | cid_42067840)
Show SMILES [O-][N+](=O)c1ccc2N(Cc3ccc(cc3F)C#N)CCc2c1
Show InChI InChI=1S/C16H12FN3O2/c17-15-7-11(9-18)1-2-13(15)10-19-6-5-12-8-14(20(21)22)3-4-16(12)19/h1-4,7-8H,5-6,10H2
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n/an/a>6.70E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200232
PNG
(AB01003479-01 | cid_45913338)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1cn2cccnc2n1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H16N4O4S/c25-29(26,16-6-7-18-19(12-16)28-11-10-27-18)23-15-4-2-14(3-5-15)17-13-24-9-1-8-21-20(24)22-17/h1-9,12-13,23H,10-11H2
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n/an/a>4.90E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50364890
PNG
(Amixin IC | TILORONE | cid_5475)
Show SMILES CCN(CC)CCOc1ccc2-c3ccc(OCCN(CC)CC)cc3C(=O)c2c1
Show InChI InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
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n/an/a 3.03E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200233
PNG
(AB00053810_11 | cid_2016)
Show SMILES C[n+]1c2cc(N)ccc2cc2ccc(N)cc12
Show InChI InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1
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n/an/a 5.71E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM12590
PNG
((6-aminoacridin-3-yl)amine;sulfuric acid;hydrate |...)
Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1
Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
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n/an/a 8.88E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200234
PNG
(AB00053570_02 | cid_4068)
Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(Br)c(=O)cc2oc2c([Hg])c([O-])c(Br)cc12
Show InChI InChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-7,24H,(H,25,26);;1H2/p-2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM34168
PNG
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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Southern Research Institute

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PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200235
PNG
(Rifampicin | cid_5381226)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200228
PNG
(AB01275474-01 | cid_24871309)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
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Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50228080
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200236
PNG
(AB01274723-01 | cid_23663976)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50371229
PNG
(Livalo | PITAVASTATIN CALCIUM | cid_24848419)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50088373
PNG
(CHEBI:46295 | VARDENAFIL | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM50116766
PNG
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)
Show SMILES CCCN[C@H]1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM200238
PNG
(AB00403923-08 | cid_95022)
Show SMILES O=C(C1C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H10O3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19/h1-9,13H
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n/an/an/an/a>8.00E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair
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