BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 307.2
BDBM50075050Purchase		Wt: 314.4
BDBM50239468Purchase		Wt: 301.7
BDBM50503432		Wt: 318.7
BDBM50503437		Wt: 318.7
BDBM50503438
Wt: 290.7
BDBM50503442		Wt: 292.7
BDBM50503443Purchase		Wt: 303.7
BDBM50503449Purchase		Wt: 313.3
BDBM509668		Wt: 310.3
BDBM509603
Wt: 317.4
BDBM509606		Wt: 252.3
BDBM50556197Purchase		Wt: 294.4
BDBM50556198		Wt: 319.7
BDBM542066		Wt: 318.7
BDBM50594048
Displayed 1 to 15 (of 392 total )  |  Next  |  Last  >>

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

Found 44 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
Pyruvate-flavodoxin oxidoreductase


(Campylobacter jejuni subsp. jejuni)		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)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 1.05E+4n/an/an/an/an/an/an/an/a



University of Virginia Health Systems

Curated by ChEMBL


Assay Description
Inhibition of PFOR Campylobacter jejuni

Antimicrob Agents Chemother 51: 868-76 (2007)


Article DOI: 10.1128/aac.01159-06
BindingDB Entry DOI: 10.7270/Q2JM2DDW
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
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))		BDBM50594048
PNG
(CHEMBL5190831)
Show SMILES COc1ccccc1\N=N\C(=O)COc1ccc(Cl)cc1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/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


(Mus musculus)		BDBM50556197
PNG
(CHEMBL1505295)
Show SMILES CC(C)(C)C1CCc2c(C1)sc(N)c2C(N)=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GFP-fused mouse ANO1 channel expressed in HEK293A cells assessed as inhibition of ATP-induced channel current amplitude at membrane pot...

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))		BDBM50556197
PNG
(CHEMBL1505295)
Show SMILES CC(C)(C)C1CCc2c(C1)sc(N)c2C(N)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.95E+3n/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


(Mus musculus)		BDBM50556198
PNG
(CHEMBL4796667)
Show SMILES CC(C)(C)C(=O)Nc1sc2CCCCCc2c1C(N)=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GFP-fused mouse ANO1 channel expressed in HEK293A cells assessed as inhibition of ATP-induced channel current amplitude at membrane pot...

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))		BDBM50556198
PNG
(CHEMBL4796667)
Show SMILES CC(C)(C)C(=O)Nc1sc2CCCCCc2c1C(N)=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.79E+3n/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
Aldo-keto reductase family 1 member B1


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 8.22E+3n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human AR

J Med Chem 58: 2047-67 (2015)


Article DOI: 10.1021/jm500907a
BindingDB Entry DOI: 10.7270/Q2D79D4X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Signal transducer and activator of transcription 3


(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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6 cells assessed as secreted embryonic alkaline phosphatase reporter g...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00544
BindingDB Entry DOI: 10.7270/Q2T72N4W
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 9.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6 cells assessed as secreted embryonic alkaline phosphatase reporter g...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00544
BindingDB Entry DOI: 10.7270/Q2T72N4W
More data for this
Ligand-Target Pair
Anoctamin-2


(Homo sapiens)		BDBM542066
PNG
(US11274074, Example 11 [Chemical Formula 15])
Show SMILES COc1ccccc1CNC(=O)COc1ccc(Cl)cc1C
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.31E+4n/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))		BDBM50239468
PNG
(CHEMBL4073870)
Show SMILES CC(=O)Nc1sc2CCCc2c1C(=O)Nc1ccccc1C
Show InChI InChI=1S/C17H18N2O2S/c1-10-6-3-4-8-13(10)19-16(21)15-12-7-5-9-14(12)22-17(15)18-11(2)20/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,20)(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>2.00E+4n/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))		BDBM542066
PNG
(US11274074, Example 11 [Chemical Formula 15])
Show SMILES COc1ccccc1CNC(=O)COc1ccc(Cl)cc1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.06E+4n/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))		BDBM50503437
PNG
(CHEMBL4516441 | US11274074, Example 4 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-8-11(17)6-7-14(10)21-9-15-19-20-16(22-15)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.12E+4n/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))		BDBM50503437
PNG
(CHEMBL4516441 | US11274074, Example 4 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-8-11(17)6-7-14(10)21-9-15-19-20-16(22-15)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.12E+4n/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))		BDBM50503443
PNG
(CHEMBL4579558 | US11274074, Example 8 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccco1
Show InChI InChI=1S/C14H13ClN2O3/c1-10-7-11(15)4-5-13(10)20-9-14(18)17-16-8-12-3-2-6-19-12/h2-8H,9H2,1H3,(H,17,18)/b16-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 2.57E+4n/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))		BDBM50503443
PNG
(CHEMBL4579558 | US11274074, Example 8 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccco1
Show InChI InChI=1S/C14H13ClN2O3/c1-10-7-11(15)4-5-13(10)20-9-14(18)17-16-8-12-3-2-6-19-12/h2-8H,9H2,1H3,(H,17,18)/b16-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.57E+4n/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))		BDBM50503449
PNG
(CHEMBL4517769 | US11274074, Example 10 [Chemical F...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccn1
Show InChI InChI=1S/C15H14ClN3O2/c1-11-8-12(16)5-6-14(11)21-10-15(20)19-18-9-13-4-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,20)/b18-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.13E+4n/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))		BDBM50503449
PNG
(CHEMBL4517769 | US11274074, Example 10 [Chemical F...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccn1
Show InChI InChI=1S/C15H14ClN3O2/c1-11-8-12(16)5-6-14(11)21-10-15(20)19-18-9-13-4-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,20)/b18-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 3.13E+4n/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))		BDBM50503442
PNG
(CHEMBL4453660 | US11274074, Example 9 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccco1
Show InChI InChI=1S/C14H11ClN2O3/c1-9-7-10(15)4-5-11(9)19-8-13-16-17-14(20-13)12-3-2-6-18-12/h2-7H,8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.38E+4n/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))		BDBM50503442
PNG
(CHEMBL4453660 | US11274074, Example 9 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccco1
Show InChI InChI=1S/C14H11ClN2O3/c1-9-7-10(15)4-5-11(9)19-8-13-16-17-14(20-13)12-3-2-6-18-12/h2-7H,8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.38E+4n/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-2


(Homo sapiens)		BDBM50503449
PNG
(CHEMBL4517769 | US11274074, Example 10 [Chemical F...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccn1
Show InChI InChI=1S/C15H14ClN3O2/c1-11-8-12(16)5-6-14(11)21-10-15(20)19-18-9-13-4-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,20)/b18-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO2 (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-2


(Homo sapiens)		BDBM50503449
PNG
(CHEMBL4517769 | US11274074, Example 10 [Chemical F...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccn1
Show InChI InChI=1S/C15H14ClN3O2/c1-11-8-12(16)5-6-14(11)21-10-15(20)19-18-9-13-4-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,20)/b18-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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))		BDBM50503438
PNG
(CHEMBL4466337 | US11274074, Comparative Example 6 ...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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))		BDBM50503432
PNG
(CHEMBL4581421 | US11274074, Comparative Example 11...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C15H12ClN3O2/c1-10-8-11(16)5-6-13(10)20-9-14-18-19-15(21-14)12-4-2-3-7-17-12/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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-2


(Homo sapiens)		BDBM50503437
PNG
(CHEMBL4516441 | US11274074, Example 4 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-8-11(17)6-7-14(10)21-9-15-19-20-16(22-15)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO2 (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-2


(Homo sapiens)		BDBM50503442
PNG
(CHEMBL4453660 | US11274074, Example 9 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccco1
Show InChI InChI=1S/C14H11ClN2O3/c1-9-7-10(15)4-5-11(9)19-8-13-16-17-14(20-13)12-3-2-6-18-12/h2-7H,8H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO2 (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-2


(Homo sapiens)		BDBM50503437
PNG
(CHEMBL4516441 | US11274074, Example 4 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-8-11(17)6-7-14(10)21-9-15-19-20-16(22-15)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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))		BDBM50503438
PNG
(CHEMBL4466337 | US11274074, Comparative Example 6 ...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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-2


(Homo sapiens)		BDBM50503442
PNG
(CHEMBL4453660 | US11274074, Example 9 [Chemical Fo...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccco1
Show InChI InChI=1S/C14H11ClN2O3/c1-9-7-10(15)4-5-11(9)19-8-13-16-17-14(20-13)12-3-2-6-18-12/h2-7H,8H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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-2


(Homo sapiens)		BDBM50503438
PNG
(CHEMBL4466337 | US11274074, Comparative Example 6 ...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of YFP-fused ANO2 (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))		BDBM50503432
PNG
(CHEMBL4581421 | US11274074, Comparative Example 11...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C15H12ClN3O2/c1-10-8-11(16)5-6-13(10)20-9-14-18-19-15(21-14)12-4-2-3-7-17-12/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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-2


(Homo sapiens)		BDBM50503438
PNG
(CHEMBL4466337 | US11274074, Comparative Example 6 ...)
Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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
Bile salt export pump


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 4


(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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 3


(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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))		BDBM509606
PNG
(N-tert-Butyl-4-[[2-[2-thienyl]acetyl]amino]pyridin...)
Show SMILES CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cccs2)ccn1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 800n/an/an/an/a


TBA

Assay Description
Compound activity was quantified by measuring the increase in current upon compound addition and expressing this as a percentage increase of baseline...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZXP
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))		BDBM509603
PNG
(US11364246, Example 4.6 | US20200361871A1, Example...)
Show SMILES CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccccc2)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.86E+3n/an/an/an/a


TBA

Assay Description
Cell Culture and PreparationFisher rat thyroid (FRT) cells stably expressing human TMEM16A (TMEM16Aabc variant; Dr Luis Galietta, Insituto Giannina, ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KW5K8C
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))		BDBM509606
PNG
(N-tert-Butyl-4-[[2-[2-thienyl]acetyl]amino]pyridin...)
Show SMILES CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cccs2)ccn1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 800n/an/an/an/a


TBA

Assay Description
Cell Culture and PreparationFisher rat thyroid (FRT) cells stably expressing human TMEM16A (TMEM16Aabc variant; Dr Luis Galietta, Insituto Giannina, ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KW5K8C
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))		BDBM509668
PNG
(4-[(2-Cyclopentylacetyl)amino]-N-(1,1-dimethylprop...)
Show SMILES CC(C)(NC(=O)c1cc(NC(=O)CC2CCCC2)ccn1)C#C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 260n/an/an/an/a


TBA

Assay Description
Cell Culture and PreparationFisher rat thyroid (FRT) cells stably expressing human TMEM16A (TMEM16Aabc variant; Dr Luis Galietta, Insituto Giannina, ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KW5K8C
More data for this
Ligand-Target Pair
Trehalose-binding lipoprotein LpqY


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/an/a 8.54E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00104g
BindingDB Entry DOI: 10.7270/Q2TQ65JT
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))		BDBM509603
PNG
(US11364246, Example 4.6 | US20200361871A1, Example...)
Show SMILES CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccccc2)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.86E+3n/an/an/an/a


TBA

Assay Description
Compound activity was quantified by measuring the increase in current upon compound addition and expressing this as a percentage increase of baseline...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZXP
More data for this
Ligand-Target Pair
Anoctamin-1


(Homo sapiens (Human))		BDBM509668
PNG
(4-[(2-Cyclopentylacetyl)amino]-N-(1,1-dimethylprop...)
Show SMILES CC(C)(NC(=O)c1cc(NC(=O)CC2CCCC2)ccn1)C#C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 260n/an/an/an/a


TBA

Assay Description
Compound activity was quantified by measuring the increase in current upon compound addition and expressing this as a percentage increase of baseline...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZXP
More data for this
Ligand-Target Pair