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Compile Data Set for Download or QSAR

Found 456 hits with Last Name = 'chorev' and Initial = 'm'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007965
PNG
(CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007965
PNG
(CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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629n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007966
PNG
(CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007966
PNG
(CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10804
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CN(CC#C)[C@@H]1CCc2ccc(O)cc12
Show InChI InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3/t13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10807
PNG
(1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CN(CC#C)C1CCc2c1cccc2O
Show InChI InChI=1S/C13H15NO/c1-3-9-14(2)12-8-7-11-10(12)5-4-6-13(11)15/h1,4-6,12,15H,7-9H2,2H3
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n/an/a 8n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10742
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-11-5-3-4-8-9(11)6-7-10(8)13/h3-5,10H,6-7,13H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10796
PNG
(1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl N,N-di...)
Show SMILES CN(C)C1CCc2c1cccc2OC(=O)N(C)C
Show InChI InChI=1S/C14H20N2O2/c1-15(2)12-9-8-11-10(12)6-5-7-13(11)18-14(17)16(3)4/h5-7,12H,8-9H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10742
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-11-5-3-4-8-9(11)6-7-10(8)13/h3-5,10H,6-7,13H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10803
PNG
(3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CN(CC#C)C1CCc2ccc(O)cc12
Show InChI InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3
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n/an/a 15n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10784
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3
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n/an/a 19n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10804
PNG
((3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1...)
Show SMILES CN(CC#C)[C@@H]1CCc2ccc(O)cc12
Show InChI InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3/t13-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10743
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methyl...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-12-6-4-5-9-10(12)7-8-11(9)14/h4-6,11H,3,7-8,14H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10794
PNG
(1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCc12)N(C)CC#C
Show InChI InChI=1S/C17H22N2O2/c1-5-12-19(4)15-11-10-14-13(15)8-7-9-16(14)21-17(20)18(3)6-2/h1,7-9,15H,6,10-12H2,2-4H3
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n/an/a 27n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10726
PNG
(3-[1-(dimethylamino)ethyl]phenyl N,N-dimethylcarba...)
Show SMILES CC(N(C)C)c1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C13H20N2O2/c1-10(14(2)3)11-7-6-8-12(9-11)17-13(16)15(4)5/h6-10H,1-5H3
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n/an/a 30n/an/an/an/a7.437



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10803
PNG
(3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CN(CC#C)C1CCc2ccc(O)cc12
Show InChI InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3
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n/an/a 30n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10806
PNG
(3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CN(CC#C)C1CCc2cccc(O)c12
Show InChI InChI=1S/C13H15NO/c1-3-9-14(2)11-8-7-10-5-4-6-12(15)13(10)11/h1,4-6,11,15H,7-9H2,2H3
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n/an/a 50n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10783
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-13-9-8-12-11(13)6-5-7-14(12)19-15(18)17(2)3/h1,5-7,13,16H,8-10H2,2-3H3
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Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10743
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methyl...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-12-6-4-5-9-10(12)7-8-11(9)14/h4-6,11H,3,7-8,14H2,1-2H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10807
PNG
(1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CN(CC#C)C1CCc2c1cccc2O
Show InChI InChI=1S/C13H15NO/c1-3-9-14(2)12-8-7-11-10(12)5-4-6-13(11)15/h1,4-6,12,15H,7-9H2,2H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10806
PNG
(3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-ind...)
Show SMILES CN(CC#C)C1CCc2cccc(O)c12
Show InChI InChI=1S/C13H15NO/c1-3-9-14(2)11-8-7-10-5-4-6-12(15)13(10)11/h1,4-6,11,15H,7-9H2,2H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10824
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-...)
Show SMILES CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
Show InChI InChI=1S/C17H24N2O2/c1-6-11-19(5)14(3)12-15-9-8-10-16(13-15)21-17(20)18(4)7-2/h1,8-10,13-14H,7,11-12H2,2-5H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10824
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-...)
Show SMILES CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
Show InChI InChI=1S/C17H24N2O2/c1-6-11-19(5)14(3)12-15-9-8-10-16(13-15)21-17(20)18(4)7-2/h1,8-10,13-14H,7,11-12H2,2-5H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10823
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N,...)
Show SMILES CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
Show InChI InChI=1S/C16H22N2O2/c1-6-10-18(5)13(2)11-14-8-7-9-15(12-14)20-16(19)17(3)4/h1,7-9,12-13H,10-11H2,2-5H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10812
PNG
(3-[2-(dimethylamino)ethyl]phenyl N,N-dimethylcarba...)
Show SMILES CN(C)CCc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C13H20N2O2/c1-14(2)9-8-11-6-5-7-12(10-11)17-13(16)15(3)4/h5-7,10H,8-9H2,1-4H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10820
PNG
(3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-methyl-N...)
Show SMILES CCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
Show InChI InChI=1S/C17H24N2O2/c1-5-10-18-14(3)12-15-8-7-9-16(13-15)21-17(20)19(4)11-6-2/h1,7-9,13-14,18H,6,10-12H2,2-4H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10832
PNG
(3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...)
Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10813
PNG
(3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N,N-dimethy...)
Show SMILES CN(C)C(=O)Oc1cccc(CCNCC#C)c1
Show InChI InChI=1S/C14H18N2O2/c1-4-9-15-10-8-12-6-5-7-13(11-12)18-14(17)16(2)3/h1,5-7,11,15H,8-10H2,2-3H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10813
PNG
(3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N,N-dimethy...)
Show SMILES CN(C)C(=O)Oc1cccc(CCNCC#C)c1
Show InChI InChI=1S/C14H18N2O2/c1-4-9-15-10-8-12-6-5-7-13(11-12)18-14(17)16(2)3/h1,5-7,11,15H,8-10H2,2-3H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10830
PNG
(3-[(2R)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phen...)
Show SMILES C[C@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
Show InChI InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m1/s1
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10821
PNG
(3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-cyclohex...)
Show SMILES CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)NCC#C
Show InChI InChI=1S/C20H28N2O2/c1-4-13-21-16(2)14-17-9-8-12-19(15-17)24-20(23)22(3)18-10-6-5-7-11-18/h1,8-9,12,15-16,18,21H,5-7,10-11,13-14H2,2-3H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10797
PNG
(3-(2-aminoethyl)phenyl N,N-dimethylcarbamate | Phe...)
Show SMILES CN(C)C(=O)Oc1cccc(CCN)c1
Show InChI InChI=1S/C11H16N2O2/c1-13(2)11(14)15-10-5-3-4-9(8-10)6-7-12/h3-5,8H,6-7,12H2,1-2H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10799
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES Oc1ccc2CC[C@@H](NCC#C)c2c1
Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10833
PNG
(3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N-ethyl-N-me...)
Show SMILES CCN(C)C(=O)Oc1cccc(CCNC(C)C#C)c1
Show InChI InChI=1S/C16H22N2O2/c1-5-13(3)17-11-10-14-8-7-9-15(12-14)20-16(19)18(4)6-2/h1,7-9,12-13,17H,6,10-11H2,2-4H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10829
PNG
(3-(N-Methyl,Ncyclohexylcarbamyloxy)-N-methyl-N-pro...)
Show SMILES CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
Show InChI InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10832
PNG
(3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...)
Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10783
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-13-9-8-12-11(13)6-5-7-14(12)19-15(18)17(2)3/h1,5-7,13,16H,8-10H2,2-3H3
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10831
PNG
(3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phen...)
Show SMILES C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
Show InChI InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m0/s1
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Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10810
PNG
(3-[2-(methylamino)ethyl]phenyl N,N-dimethylcarbama...)
Show SMILES CNCCc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C12H18N2O2/c1-13-8-7-10-5-4-6-11(9-10)16-12(15)14(2)3/h4-6,9,13H,7-8H2,1-3H3
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Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10815
PNG
(3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N-methyl-N-...)
Show SMILES CCCN(C)C(=O)Oc1cccc(CCNCC#C)c1
Show InChI InChI=1S/C16H22N2O2/c1-4-10-17-11-9-14-7-6-8-15(13-14)20-16(19)18(3)12-5-2/h1,6-8,13,17H,5,9-12H2,2-3H3
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n/an/a 290n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10793
PNG
(7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
Show InChI InChI=1S/C17H22N2O2/c1-4-10-18-15-8-6-13-7-9-16(12-14(13)11-15)21-17(20)19(3)5-2/h1,7,9,12,15,18H,5-6,8,10-11H2,2-3H3
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n/an/a 290n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10732
PNG
(3-amino-2,3-dihydro-1H-inden-5-yl N-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(N)c2c1
Show InChI InChI=1S/C18H20N2O3/c1-20(13-5-8-14(22-2)9-6-13)18(21)23-15-7-3-12-4-10-17(19)16(12)11-15/h3,5-9,11,17H,4,10,19H2,1-2H3
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n/an/a 300n/an/an/an/a7.437



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10799
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES Oc1ccc2CC[C@@H](NCC#C)c2c1
Show InChI InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM10816
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N...)
Show SMILES CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C
Show InChI InChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3
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n/an/a 300n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10778
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
Show InChI InChI=1S/C16H20N2O2/c1-4-11-17-13-10-9-12-7-6-8-14(15(12)13)20-16(19)18(3)5-2/h1,6-8,13,17H,5,9-11H2,2-3H3
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n/an/a 310n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM10822
PNG
(3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-...)
Show SMILES CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
Show InChI InChI=1S/C18H26N2O2/c1-5-7-12-20(4)18(21)22-17-10-8-9-16(14-17)13-15(3)19-11-6-2/h2,8-10,14-15,19H,5,7,11-13H2,1,3-4H3
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n/an/a 400n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
Inhibition of MAO activity was determined by a radiometric procedure from Tipton and Youdim. Homogenized rat brain was used as the source of enzymes....


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10739
PNG
(3-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(N)c12
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-10-5-3-4-8-6-7-9(13)11(8)10/h3-5,9H,6-7,13H2,1-2H3
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n/an/a 460n/an/an/an/a7.437



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10741
PNG
(3-(methylamino)-2,3-dihydro-1H-inden-4-yl N,N-dime...)
Show SMILES CNC1CCc2cccc(OC(=O)N(C)C)c12
Show InChI InChI=1S/C13H18N2O2/c1-14-10-8-7-9-5-4-6-11(12(9)10)17-13(16)15(2)3/h4-6,10,14H,7-8H2,1-3H3
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n/an/a 510n/an/an/an/an/an/a



Teva Pharmaceutical Industries



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 45: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
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