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Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'rami' and Initial = 'h'   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287729
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H24N2O5/c1-27(25-26-21-9-5-6-10-22(21)32-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)31-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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1.10n/an/an/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085043
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085043
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287732
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C20H22N2O5/c1-22(20-21-16-5-3-4-6-17(16)27-20)11-12-26-15-9-7-14(8-10-15)13-18(25-2)19(23)24/h3-10,18H,11-13H2,1-2H3,(H,23,24)
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50049244
PNG
(5-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H19N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,24H,10-12H2,1H3,(H,22,25)
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287733
PNG
(2-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-be...)
Show SMILES CN(CCOc1ccc(CC(CCCc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C28H30N2O4/c1-30(28-29-25-12-5-6-13-26(25)34-28)18-19-33-24-16-14-22(15-17-24)20-23(27(31)32)11-7-10-21-8-3-2-4-9-21/h2-6,8-9,12-17,23H,7,10-11,18-20H2,1H3,(H,31,32)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287727
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Cl)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19ClN2O4/c1-22(19-21-16-4-2-3-5-17(16)26-19)10-11-25-14-8-6-13(7-9-14)12-15(20)18(23)24/h2-9,15H,10-12H2,1H3,(H,23,24)
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287730
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H24N2O4S/c1-27(25-26-21-9-5-6-10-22(21)31-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)32-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287728
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(=O)C(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)SC
Show InChI InChI=1S/C21H24N2O4S/c1-23(21-22-17-6-4-5-7-18(17)27-21)12-13-26-16-10-8-15(9-11-16)14-19(28-3)20(24)25-2/h4-11,19H,12-14H2,1-3H3
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287734
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-14(19(23)24)13-15-7-9-16(10-8-15)25-12-11-22(2)20-21-17-5-3-4-6-18(17)26-20/h3-10,14H,11-13H2,1-2H3,(H,23,24)
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287731
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1
Show InChI InChI=1S/C20H22N2O4/c1-22(20-21-17-5-3-4-6-18(17)26-20)13-14-25-16-10-7-15(8-11-16)9-12-19(23)24-2/h3-8,10-11H,9,12-14H2,1-2H3
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 0.440n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052206
PNG
(CHEMBL3318391)
Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15FN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.30n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052208
PNG
(CHEMBL3318394)
Show SMILES [Cl-].Brc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15BrN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.5n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052210
PNG
(CHEMBL3318398)
Show SMILES [Cl-].Fc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14ClFN2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 4.10n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052212
PNG
(CHEMBL3318400)
Show SMILES [Br-].Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15ClN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 4.90n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052214
PNG
(CHEMBL3318402)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O.ClH/c1-16-5-4-6-18(13-16)15-24-11-9-17(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 5.20n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052215
PNG
(CHEMBL3318403)
Show SMILES [Cl-].COc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-6-4-5-17(13-18)15-24-11-9-16(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 6.60n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50189987
PNG
(6-phenyl-N-(quinolin-7-yl)nicotinamide | CHEMBL213...)
Show SMILES O=C(Nc1ccc2cccnc2c1)c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(24-18-10-8-16-7-4-12-22-20(16)13-18)17-9-11-19(23-14-17)15-5-2-1-3-6-15/h1-14H,(H,24,25)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 assessed as inhibition of acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4533-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.026
BindingDB Entry DOI: 10.7270/Q20R9P1B
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 9n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp a...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052213
PNG
(CHEMBL3318401)
Show SMILES [Cl-].Brc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 10n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052216
PNG
(CHEMBL3318404)
Show SMILES [Cl-].Fc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 13n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052207
PNG
(CHEMBL3318393)
Show SMILES [Cl-].Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C22H18N2O/c1-16-6-2-3-7-18(16)15-24-12-10-17(11-13-24)14-20-19-8-4-5-9-21(19)23-22(20)25/h2-14H,15H2,1H3/p+1
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n/an/a 15n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052211
PNG
(CHEMBL3318399)
Show SMILES [Cl-].Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14Cl2N2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 17n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052222
PNG
(CHEMBL3318408)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O.ClH/c22-18-6-5-15(12-19(18)23)13-25-9-7-14(8-10-25)11-17-16-3-1-2-4-20(16)24-21(17)26;/h1-12H,13H2;1H
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n/an/a 29n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 40n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052205
PNG
(CHEMBL3318390)
Show SMILES [Br-].O=C1Nc2ccccc2\C1=C/c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O/c24-21-19(18-8-4-5-9-20(18)22-21)14-16-10-12-23(13-11-16)15-17-6-2-1-3-7-17/h1-14H,15H2/p+1
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n/an/a 47n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp ass...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Vanilloid receptor 1


(Cavia porcellus)
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 63n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 100n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052202
PNG
(CHEMBL3318410)
Show SMILES [Cl-].ClCc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H17ClN2O/c23-14-17-5-7-18(8-6-17)15-25-11-9-16(10-12-25)13-20-19-3-1-2-4-21(19)24-22(20)26/h1-13H,14-15H2/p+1
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n/an/a 103n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052209
PNG
(CHEMBL3318395)
Show SMILES [Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15N3O3/c25-21-18(17-6-2-3-7-19(17)22-21)13-15-9-11-23(12-10-15)14-16-5-1-4-8-20(16)24(26)27/h1-13H,14H2/p+1
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n/an/a 214n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052203
PNG
(CHEMBL3318409)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2N2O/c22-16-6-5-15(19(23)12-16)13-25-9-7-14(8-10-25)11-18-17-3-1-2-4-20(17)24-21(18)26/h1-12H,13H2/p+1
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n/an/a 258n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052218
PNG
(CHEMBL3318406)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15ClN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 590n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052219
PNG
(CHEMBL3318407)
Show SMILES [Cl-].Brc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15BrN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 653n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052217
PNG
(CHEMBL3318405)
Show SMILES [Cl-].Fc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 677n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052220
PNG
(CHEMBL3318396)
Show SMILES [Cl-].COc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-8-6-17(7-9-18)15-24-12-10-16(11-13-24)14-20-19-4-2-3-5-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 677n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052221
PNG
(CHEMBL3318397)
Show SMILES [Cl-].[O-][N+](=O)c1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15N3O3.ClH/c25-21-19(18-3-1-2-4-20(18)22-21)13-15-9-11-23(12-10-15)14-16-5-7-17(8-6-16)24(26)27;/h1-13H,14H2;1H
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 744n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052207
PNG
(CHEMBL3318393)
Show SMILES [Cl-].Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C22H18N2O/c1-16-6-2-3-7-18(16)15-24-12-10-17(11-13-24)14-20-19-8-4-5-9-21(19)23-22(20)25/h2-14H,15H2,1H3/p+1
PDB

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n/an/a 887n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052202
PNG
(CHEMBL3318410)
Show SMILES [Cl-].ClCc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H17ClN2O/c23-14-17-5-7-18(8-6-17)15-25-11-9-16(10-12-25)13-20-19-3-1-2-4-21(19)24-22(20)26/h1-13H,14-15H2/p+1
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052208
PNG
(CHEMBL3318394)
Show SMILES [Cl-].Brc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15BrN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
PDB

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n/an/a 1.23E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052212
PNG
(CHEMBL3318400)
Show SMILES [Br-].Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15ClN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
PDB

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n/an/a 1.35E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
PDB

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n/an/a 1.37E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052211
PNG
(CHEMBL3318399)
Show SMILES [Cl-].Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14Cl2N2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052209
PNG
(CHEMBL3318395)
Show SMILES [Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15N3O3/c25-21-18(17-6-2-3-7-19(17)22-21)13-15-9-11-23(12-10-15)14-16-5-1-4-8-20(16)24(26)27/h1-13H,14H2/p+1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052214
PNG
(CHEMBL3318402)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O.ClH/c1-16-5-4-6-18(13-16)15-24-11-9-17(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
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