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Compile Data Set for Download or QSAR

Found 201 hits of ic50 data for polymerid = 50006087   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Anoctamin-1


(Homo sapiens (Human))
BDBM50503445
PNG
(CHEMBL4445544 | US11274074, Example 1 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
The method for inhibiting the expression of ANO1 (TMEM16A) of the present disclosure includes a step of inhibiting the expression of ANO1 (TMEM16A) i...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RDM
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503445
PNG
(CHEMBL4445544 | US11274074, Example 1 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
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n/an/a 21n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503445
PNG
(CHEMBL4445544 | US11274074, Example 1 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O3/c1-11-8-13(18)6-7-14(11)25-10-16(24)23-22-9-12-4-2-3-5-15(12)26-17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
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n/an/a 22n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ANO1 (unknown origin) expressed in FRT cells assessed as reduction in ATP-induced chloride current after 20 mins by electrophysiologica...


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50594075
PNG
(CHEMBL5186789)
Show SMILES OC(=O)c1c(NC(=O)c2cc(F)ccc2F)scc1-c1ccc(Cl)cc1
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50594073
PNG
(CHEMBL5206041)
Show SMILES OC(=O)c1c(NC(=O)c2cc(Cl)ccc2Br)scc1-c1ccc(Cl)cc1
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n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239459
PNG
(CHEMBL4074929)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12
Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239459
PNG
(CHEMBL4074929)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12
Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 30n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239459
PNG
(CHEMBL4074929)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12
Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ANO1 channel (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112688
BindingDB Entry DOI: 10.7270/Q2N58R1T
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ANO1 channel expressed in HEK293 cells incubated for 10 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112688
BindingDB Entry DOI: 10.7270/Q2N58R1T
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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Article
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n/an/a 77n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ANO1 expressed in FRT cells assessed as inhibition of ATP-induced channel current treated 20 mins prior to ATP challenge and meas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112688
BindingDB Entry DOI: 10.7270/Q2N58R1T
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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n/an/a 77n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ANO1 (unknown origin) expressed in FRT cells assessed as reduction in ATP-induced chloride current after 20 mins by electrophysiologica...


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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n/an/a 77n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 20 mins followed by ...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239467
PNG
(CHEMBL4086165)
Show SMILES COc1cc(Nc2ccc(cc2C(O)=O)[N+]([O-])=O)cc2ccccc12
Show InChI InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22)
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n/an/a 80n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of TMEM16A (unknown origin) expressed in Xenopus laevis oocytes at -60 mV holding potential by voltage-clamp assay


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239459
PNG
(CHEMBL4074929)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12
Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 83n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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n/an/a 97n/an/an/an/an/an/a


TBA

Assay Description
The method for inhibiting the expression of ANO1 (TMEM16A) of the present disclosure includes a step of inhibiting the expression of ANO1 (TMEM16A) i...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RDM
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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n/an/a 97n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239465
PNG
(CHEMBL4080525 | US11274074, Control [Ani9])
Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+
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n/an/a 110n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239433
PNG
(CHEMBL3134585)
Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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n/an/a 130n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239428
PNG
(CHEMBL4104024)
Show SMILES Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)I)sc3CCCCCc23)cc1
Show InChI InChI=1S/C18H16F3IN2O2S/c19-10-6-8-11(9-7-10)23-15(25)14-12-4-2-1-3-5-13(12)27-16(14)24-17(26)18(20,21)22/h6-9H,1-5H2,(H,23,25)(H,24,26)
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n/an/a 150n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239446
PNG
(CHEMBL4069503)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCc12
Show InChI InChI=1S/C18H17F3N2O2S/c1-10-6-2-4-8-12(10)22-15(24)14-11-7-3-5-9-13(11)26-16(14)23-17(25)18(19,20)21/h2,4,6,8H,3,5,7,9H2,1H3,(H,22,24)(H,23,25)
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n/an/a 170n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239457
PNG
(CHEMBL4071143)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Cl)sc2CCCCCc12
Show InChI InChI=1S/C19H19ClF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 180n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503455
PNG
(CHEMBL4448175 | US11274074, Example 5 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-11-8-13(18)6-7-15(11)25-10-16(24)23-22-9-12-4-2-3-5-14(12)17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
The method for inhibiting the expression of ANO1 (TMEM16A) of the present disclosure includes a step of inhibiting the expression of ANO1 (TMEM16A) i...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RDM
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503455
PNG
(CHEMBL4448175 | US11274074, Example 5 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N2O2/c1-11-8-13(18)6-7-15(11)25-10-16(24)23-22-9-12-4-2-3-5-14(12)17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
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n/an/a 210n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239447
PNG
(CHEMBL4090522)
Show SMILES Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3CCCCc23)cc1
Show InChI InChI=1S/C18H17F3N2O2S/c1-10-6-8-11(9-7-10)22-15(24)14-12-4-2-3-5-13(12)26-16(14)23-17(25)18(19,20)21/h6-9H,2-5H2,1H3,(H,22,24)(H,23,25)
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n/an/a 220n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239461
PNG
(CHEMBL4074900)
Show SMILES FC(F)(Br)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17BrF2N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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n/an/a 230n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239470
PNG
(CHEMBL4095338)
Show SMILES FC(F)(I)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17F2IN2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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n/an/a 230n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239457
PNG
(CHEMBL4071143)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Cl)sc2CCCCCc12
Show InChI InChI=1S/C19H19ClF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 230n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239426
PNG
(CHEMBL1444023)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCCc12
Show InChI InChI=1S/C19H19F3N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 260n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50594059
PNG
(CHEMBL5186589)
Show SMILES OC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)scc1-c1ccc(Cl)cc1
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n/an/a 270n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239433
PNG
(CHEMBL3134585)
Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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n/an/a 300n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503439
PNG
(CHEMBL4515829 | US11274074, Example 6 [Chemical Fo...)
Show SMILES C\C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2O3/c1-11-9-13(19)7-8-15(11)26-10-17(25)24-23-12(2)14-5-3-4-6-16(14)27-18(20,21)22/h3-9H,10H2,1-2H3,(H,24,25)/b23-12+
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
The method for inhibiting the expression of ANO1 (TMEM16A) of the present disclosure includes a step of inhibiting the expression of ANO1 (TMEM16A) i...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RDM
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503439
PNG
(CHEMBL4515829 | US11274074, Example 6 [Chemical Fo...)
Show SMILES C\C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2O3/c1-11-9-13(19)7-8-15(11)26-10-17(25)24-23-12(2)14-5-3-4-6-16(14)27-18(20,21)22/h3-9H,10H2,1-2H3,(H,24,25)/b23-12+
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n/an/a 300n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239438
PNG
(CHEMBL4099581)
Show SMILES Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3CCCCCc23)cc1
Show InChI InChI=1S/C18H16F4N2O2S/c19-10-6-8-11(9-7-10)23-15(25)14-12-4-2-1-3-5-13(12)27-16(14)24-17(26)18(20,21)22/h6-9H,1-5H2,(H,23,25)(H,24,26)
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n/an/a 320n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal membranes


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239475
PNG
(CHEMBL4082703)
Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15F3N2O2S/c18-17(19,20)16(24)22-15-13(11-8-4-5-9-12(11)25-15)14(23)21-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,21,23)(H,22,24)
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n/an/a 370n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239469
PNG
(CHEMBL4091961)
Show SMILES FC(F)(F)Oc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCc12
Show InChI InChI=1S/C17H12F6N2O3S/c18-16(19,20)15(27)25-14-12(8-4-3-7-11(8)29-14)13(26)24-9-5-1-2-6-10(9)28-17(21,22)23/h1-2,5-6H,3-4,7H2,(H,24,26)(H,25,27)
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n/an/a 370n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239458
PNG
(CHEMBL4095365)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2CCCCCc12
Show InChI InChI=1S/C21H19F7N2O2S/c1-11-7-5-6-9-13(11)29-16(31)15-12-8-3-2-4-10-14(12)33-17(15)30-18(32)19(22,23)20(24,25)21(26,27)28/h5-7,9H,2-4,8,10H2,1H3,(H,29,31)(H,30,32)
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n/an/a 380n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239426
PNG
(CHEMBL1444023)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCCc12
Show InChI InChI=1S/C19H19F3N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 420n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50075050
PNG
(Alinia | Nitazoxanide | PH-5776)
Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
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n/an/a 424n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239463
PNG
(CHEMBL4087641)
Show SMILES Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)Br)sc3CCCCCc23)cc1
Show InChI InChI=1S/C18H16BrF3N2O2S/c19-18(21,22)17(26)24-16-14(12-4-2-1-3-5-13(12)27-16)15(25)23-11-8-6-10(20)7-9-11/h6-9H,1-5H2,(H,23,25)(H,24,26)
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n/an/a 450n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]dopamine uptake in rat brain synaptosomes


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239448
PNG
(CHEMBL4080209)
Show SMILES Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3CCCCc23)cc1
Show InChI InChI=1S/C17H14F4N2O2S/c18-9-5-7-10(8-6-9)22-14(24)13-11-3-1-2-4-12(11)26-15(13)23-16(25)17(19,20)21/h5-8H,1-4H2,(H,22,24)(H,23,25)
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n/an/a 490n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239464
PNG
(CHEMBL4085154)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)I)sc2CCCCCc12
Show InChI InChI=1S/C19H19F2IN2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 600n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239428
PNG
(CHEMBL4104024)
Show SMILES Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)I)sc3CCCCCc23)cc1
Show InChI InChI=1S/C18H16F3IN2O2S/c19-10-6-8-11(9-7-10)23-15(25)14-12-4-2-1-3-5-13(12)27-16(14)24-17(26)18(20,21)22/h6-9H,1-5H2,(H,23,25)(H,24,26)
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n/an/a 600n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239439
PNG
(CHEMBL4083154)
Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H16ClF3N2O2S/c19-11-7-4-5-8-12(11)23-15(25)14-10-6-2-1-3-9-13(10)27-16(14)24-17(26)18(20,21)22/h4-5,7-8H,1-3,6,9H2,(H,23,25)(H,24,26)
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n/an/a 660n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239430
PNG
(CHEMBL4096263)
Show SMILES FC(F)(F)Oc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCc12
Show InChI InChI=1S/C17H12BrF5N2O3S/c18-16(19,20)15(27)25-14-12(8-4-3-7-11(8)29-14)13(26)24-9-5-1-2-6-10(9)28-17(21,22)23/h1-2,5-6H,3-4,7H2,(H,24,26)(H,25,27)
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n/an/a 700n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239464
PNG
(CHEMBL4085154)
Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)I)sc2CCCCCc12
Show InChI InChI=1S/C19H19F2IN2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)
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n/an/a 730n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50594049
PNG
(CHEMBL5185767)
Show SMILES OC(=O)c1c(NC(=O)c2cccc3ccccc23)scc1-c1ccc(Cl)cc1
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n/an/a 790n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114413
BindingDB Entry DOI: 10.7270/Q2GX4GK6
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239462
PNG
(CHEMBL4066286)
Show SMILES Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)Cl)sc3CCCCCc23)cc1
Show InChI InChI=1S/C18H16ClF3N2O2S/c19-18(21,22)17(26)24-16-14(12-4-2-1-3-5-13(12)27-16)15(25)23-11-8-6-10(20)7-9-11/h6-9H,1-5H2,(H,23,25)(H,24,26)
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n/an/a 840n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50503453
PNG
(CHEMBL4577443)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1F
Show InChI InChI=1S/C16H14ClFN2O2/c1-11-8-13(17)6-7-15(11)22-10-16(21)20-19-9-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+
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n/an/a 890n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method


Eur J Med Chem 160: 245-255 (2018)


Article DOI: 10.1016/j.ejmech.2018.10.002
BindingDB Entry DOI: 10.7270/Q24T6NMB
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))
BDBM50239460
PNG
(CHEMBL4103095)
Show SMILES FC(F)(Cl)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17ClF2N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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n/an/a 925n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...


J Med Chem 60: 4626-4635 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00020
BindingDB Entry DOI: 10.7270/Q2FT8P5G
More data for this
Ligand-Target Pair
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