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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 392.3
BDBM50387360
Wt: 408.8
BDBM50387363
Wt: 410.3
BDBM50387364
Wt: 410.3
BDBM50387365
Wt: 376.3
BDBM50387368
Wt: 392.8
BDBM50387371
Wt: 394.3
BDBM50387372
Wt: 426.3
BDBM50387373
Wt: 394.3
BDBM50387374
Wt: 376.3
BDBM50387375
Wt: 412.4
BDBM50387378
Wt: 428.8
BDBM50387381
Wt: 430.3
BDBM50387382
Wt: 412.4
BDBM50387384
Wt: 392.3
BDBM50387387
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
Anoctamin-1


(Homo sapiens)
BDBM50387382
PNG
(CHEMBL2047095)
Show SMILES OC(=O)c1c(oc2ccc(OCc3c(F)cccc3F)cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H16F2O4/c27-21-6-3-7-22(28)20(21)14-31-18-10-11-23-19(13-18)24(26(29)30)25(32-23)17-9-8-15-4-1-2-5-16(15)12-17/h1-13H,14H2,(H,29,30)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387384
PNG
(CHEMBL2047098)
Show SMILES OC(=O)c1c(oc2ccc(OCc3ccc(F)cc3)cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H17FO4/c27-20-9-5-16(6-10-20)15-30-21-11-12-23-22(14-21)24(26(28)29)25(31-23)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2,(H,28,29)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387378
PNG
(CHEMBL2047091)
Show SMILES OC(=O)c1c(oc2ccc(OCc3cccc(F)c3)cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H17FO4/c27-20-7-3-4-16(12-20)15-30-21-10-11-23-22(14-21)24(26(28)29)25(31-23)19-9-8-17-5-1-2-6-18(17)13-19/h1-14H,15H2,(H,28,29)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387381
PNG
(CHEMBL2047094)
Show SMILES OC(=O)c1c(oc2ccc(OCc3cccc(Cl)c3)cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H17ClO4/c27-20-7-3-4-16(12-20)15-30-21-10-11-23-22(14-21)24(26(28)29)25(31-23)19-9-8-17-5-1-2-6-18(17)13-19/h1-14H,15H2,(H,28,29)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387374
PNG
(CHEMBL2047087)
Show SMILES Cc1ccc(cc1)-c1oc2ccc(OCc3ccc(F)c(F)c3)cc2c1C(O)=O
Show InChI InChI=1S/C23H16F2O4/c1-13-2-5-15(6-3-13)22-21(23(26)27)17-11-16(7-9-20(17)29-22)28-12-14-4-8-18(24)19(25)10-14/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387373
PNG
(CHEMBL2047086)
Show SMILES Cc1ccc(cc1)-c1oc2ccc(OCc3cccc(c3)C(F)(F)F)cc2c1C(O)=O
Show InChI InChI=1S/C24H17F3O4/c1-14-5-7-16(8-6-14)22-21(23(28)29)19-12-18(9-10-20(19)31-22)30-13-15-3-2-4-17(11-15)24(25,26)27/h2-12H,13H2,1H3,(H,28,29)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387371
PNG
(CHEMBL2047084)
Show SMILES Cc1ccc(cc1)-c1oc2ccc(OCc3cccc(Cl)c3)cc2c1C(O)=O
Show InChI InChI=1S/C23H17ClO4/c1-14-5-7-16(8-6-14)22-21(23(25)26)19-12-18(9-10-20(19)28-22)27-13-15-3-2-4-17(24)11-15/h2-12H,13H2,1H3,(H,25,26)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387368
PNG
(CHEMBL2046450)
Show SMILES Cc1ccc(cc1)-c1oc2ccc(OCc3cccc(F)c3)cc2c1C(O)=O
Show InChI InChI=1S/C23H17FO4/c1-14-5-7-16(8-6-14)22-21(23(25)26)19-12-18(9-10-20(19)28-22)27-13-15-3-2-4-17(24)11-15/h2-12H,13H2,1H3,(H,25,26)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387375
PNG
(CHEMBL2047088)
Show SMILES Cc1ccc(cc1)-c1oc2ccc(OCc3ccc(F)cc3)cc2c1C(O)=O
Show InChI InChI=1S/C23H17FO4/c1-14-2-6-16(7-3-14)22-21(23(25)26)19-12-18(10-11-20(19)28-22)27-13-15-4-8-17(24)9-5-15/h2-12H,13H2,1H3,(H,25,26)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387387
PNG
(CHEMBL2047079)
Show SMILES COc1ccc(cc1)-c1oc2ccc(OCc3ccc(F)cc3)cc2c1C(O)=O
Show InChI InChI=1S/C23H17FO5/c1-27-17-8-4-15(5-9-17)22-21(23(25)26)19-12-18(10-11-20(19)29-22)28-13-14-2-6-16(24)7-3-14/h2-12H,13H2,1H3,(H,25,26)
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n/an/a 2.12E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387372
PNG
(CHEMBL2047085)
Show SMILES Cc1ccc(cc1)-c1oc2ccc(OCc3c(F)cccc3F)cc2c1C(O)=O
Show InChI InChI=1S/C23H16F2O4/c1-13-5-7-14(8-6-13)22-21(23(26)27)16-11-15(9-10-20(16)29-22)28-12-17-18(24)3-2-4-19(17)25/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387365
PNG
(CHEMBL2047078)
Show SMILES COc1ccc(cc1)-c1oc2ccc(OCc3ccc(F)c(F)c3)cc2c1C(O)=O
Show InChI InChI=1S/C23H16F2O5/c1-28-15-5-3-14(4-6-15)22-21(23(26)27)17-11-16(7-9-20(17)30-22)29-12-13-2-8-18(24)19(25)10-13/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 2.35E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387364
PNG
(CHEMBL2047076)
Show SMILES COc1ccc(cc1)-c1oc2ccc(OCc3c(F)cccc3F)cc2c1C(O)=O
Show InChI InChI=1S/C23H16F2O5/c1-28-14-7-5-13(6-8-14)22-21(23(26)27)16-11-15(9-10-20(16)30-22)29-12-17-18(24)3-2-4-19(17)25/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387360
PNG
(CHEMBL2046972)
Show SMILES COc1ccc(cc1)-c1oc2ccc(OCc3cccc(F)c3)cc2c1C(O)=O
Show InChI InChI=1S/C23H17FO5/c1-27-17-7-5-15(6-8-17)22-21(23(25)26)19-12-18(9-10-20(19)29-22)28-13-14-3-2-4-16(24)11-14/h2-12H,13H2,1H3,(H,25,26)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens)
BDBM50387363
PNG
(CHEMBL2047075)
Show SMILES COc1ccc(cc1)-c1oc2ccc(OCc3cccc(Cl)c3)cc2c1C(O)=O
Show InChI InChI=1S/C23H17ClO5/c1-27-17-7-5-15(6-8-17)22-21(23(25)26)19-12-18(9-10-20(19)29-22)28-13-14-3-2-4-16(24)11-14/h2-12H,13H2,1H3,(H,25,26)
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n/an/a 2.92E+4n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluor...


Bioorg Med Chem 20: 4237-44 (2012)


Article DOI: 10.1016/j.bmc.2012.05.074
BindingDB Entry DOI: 10.7270/Q2FB540N
More data for this
Ligand-Target Pair