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Articleid 50029880

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50231956
PNG
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21
Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288976
PNG
(CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21
Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288977
PNG
(CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21
Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288981
PNG
(CHEMBL160219 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)27-16-8-11-20-18(14-16)17-9-10-19(21(17)25(20)2)24-13-12-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288976
PNG
(CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21
Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288966
PNG
(CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC
Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288969
PNG
(4-(7-Bromo-5-methoxy-benzofuran-2-yl)-piperidine |...)
Show SMILES COc1cc(Br)c2oc(cc2c1)C1CCNCC1
Show InChI InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288977
PNG
(CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21
Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288975
PNG
(CHEMBL445916 | Methyl-carbamic acid 8-bromo-3-[(Z)...)
Show SMILES CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC
Show InChI InChI=1S/C18H22BrN3O2/c1-4-10-22-13-8-9-14(24-18(23)20-3)16(19)15(13)11-6-7-12(17(11)22)21-5-2/h8-9H,4-7,10H2,1-3H3,(H,20,23)
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288979
PNG
(CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC
Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50231956
PNG
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21
Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288966
PNG
(CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC
Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288973
PNG
(CHEMBL157182 | Methyl-carbamic acid 6-chloro-4-met...)
Show SMILES CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl
Show InChI InChI=1S/C15H16ClN3O2/c1-17-11-5-4-8-9-6-13(21-15(20)18-2)10(16)7-12(9)19(3)14(8)11/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288967
PNG
(Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...)
Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC
Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23)
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n/an/a 750n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288970
PNG
(CHEMBL346766 | Methyl-[4-methyl-1,4-dihydro-2H-cyc...)
Show SMILES CN=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C13H14N2/c1-14-11-8-7-10-9-5-3-4-6-12(9)15(2)13(10)11/h3-6H,7-8H2,1-2H3
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n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288979
PNG
(CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC
Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 1.36E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288971
PNG
(CHEMBL156919 | [4-Methyl-1,4-dihydro-2H-cyclopenta...)
Show SMILES CCCN=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C15H18N2/c1-3-10-16-13-9-8-12-11-6-4-5-7-14(11)17(2)15(12)13/h4-7H,3,8-10H2,1-2H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288965
PNG
(CHEMBL347197 | Ethyl-[4-methyl-1,4-dihydro-2H-cycl...)
Show SMILES CCN=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C14H16N2/c1-3-15-12-9-8-11-10-6-4-5-7-13(10)16(2)14(11)12/h4-7H,3,8-9H2,1-2H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288967
PNG
(Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...)
Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC
Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23)
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n/an/a 3.17E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288968
PNG
(CHEMBL156931 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC
Show InChI InChI=1S/C15H17N3O2/c1-16-12-6-5-10-11-8-9(20-15(19)17-2)4-7-13(11)18(3)14(10)12/h4,7-8H,5-6H2,1-3H3,(H,17,19)
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n/an/a 3.36E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288972
PNG
(CHEMBL350464 | Methyl-carbamic acid 3-[(Z)-ethylim...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21
Show InChI InChI=1S/C16H19N3O2/c1-4-18-13-7-6-11-12-9-10(21-16(20)17-2)5-8-14(12)19(3)15(11)13/h5,8-9H,4,6-7H2,1-3H3,(H,17,20)
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n/an/a 3.74E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288974
PNG
(CHEMBL155863 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21
Show InChI InChI=1S/C17H21N3O2/c1-4-9-19-14-7-6-12-13-10-11(22-17(21)18-2)5-8-15(13)20(3)16(12)14/h5,8,10H,4,6-7,9H2,1-3H3,(H,18,21)
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n/an/a 3.84E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288982
PNG
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21
Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26)
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n/an/a 4.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288982
PNG
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21
Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26)
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n/an/a 5.47E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50288972
PNG
(CHEMBL350464 | Methyl-carbamic acid 3-[(Z)-ethylim...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21
Show InChI InChI=1S/C16H19N3O2/c1-4-18-13-7-6-11-12-9-10(21-16(20)17-2)5-8-14(12)19(3)15(11)13/h5,8-9H,4,6-7H2,1-3H3,(H,17,20)
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n/an/a 5.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288968
PNG
(CHEMBL156931 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC
Show InChI InChI=1S/C15H17N3O2/c1-16-12-6-5-10-11-8-9(20-15(19)17-2)4-7-13(11)18(3)14(10)12/h4,7-8H,5-6H2,1-3H3,(H,17,19)
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n/an/a 1.36E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288973
PNG
(CHEMBL157182 | Methyl-carbamic acid 6-chloro-4-met...)
Show SMILES CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl
Show InChI InChI=1S/C15H16ClN3O2/c1-17-11-5-4-8-9-6-13(21-15(20)18-2)10(16)7-12(9)19(3)14(8)11/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 2.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288969
PNG
(4-(7-Bromo-5-methoxy-benzofuran-2-yl)-piperidine |...)
Show SMILES COc1cc(Br)c2oc(cc2c1)C1CCNCC1
Show InChI InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3
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n/an/a 2.34E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288974
PNG
(CHEMBL155863 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21
Show InChI InChI=1S/C17H21N3O2/c1-4-9-19-14-7-6-12-13-10-11(22-17(21)18-2)5-8-15(13)20(3)16(12)14/h5,8,10H,4,6-7,9H2,1-3H3,(H,18,21)
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n/an/a 2.54E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288978
PNG
(CHEMBL348083 | Isopropyl-[4-methyl-1,4-dihydro-2H-...)
Show SMILES CC(C)N=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C15H18N2/c1-10(2)16-13-9-8-12-11-6-4-5-7-14(11)17(3)15(12)13/h4-7,10H,8-9H2,1-3H3
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n/an/a 3.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50231956
PNG
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21
Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288965
PNG
(CHEMBL347197 | Ethyl-[4-methyl-1,4-dihydro-2H-cycl...)
Show SMILES CCN=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C14H16N2/c1-3-15-12-9-8-11-10-6-4-5-7-13(10)16(2)14(11)12/h4-7H,3,8-9H2,1-2H3
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n/an/a 7.76E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288980
PNG
(CHEMBL158041 | [4-Methyl-1,4-dihydro-2H-cyclopenta...)
Show SMILES Cn1c2C(CCc2c2ccccc12)=NCc1ccncc1
Show InChI InChI=1S/C18H17N3/c1-21-17-5-3-2-4-14(17)15-6-7-16(18(15)21)20-12-13-8-10-19-11-9-13/h2-5,8-11H,6-7,12H2,1H3
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n/an/a 1.13E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288967
PNG
(Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...)
Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC
Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23)
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n/an/a 1.75E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288970
PNG
(CHEMBL346766 | Methyl-[4-methyl-1,4-dihydro-2H-cyc...)
Show SMILES CN=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C13H14N2/c1-14-11-8-7-10-9-5-3-4-6-12(9)15(2)13(10)11/h3-6H,7-8H2,1-2H3
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n/an/a 3.17E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288973
PNG
(CHEMBL157182 | Methyl-carbamic acid 6-chloro-4-met...)
Show SMILES CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl
Show InChI InChI=1S/C15H16ClN3O2/c1-17-11-5-4-8-9-6-13(21-15(20)18-2)10(16)7-12(9)19(3)14(8)11/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a 3.95E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288981
PNG
(CHEMBL160219 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)27-16-8-11-20-18(14-16)17-9-10-19(21(17)25(20)2)24-13-12-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288981
PNG
(CHEMBL160219 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)27-16-8-11-20-18(14-16)17-9-10-19(21(17)25(20)2)24-13-12-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288975
PNG
(CHEMBL445916 | Methyl-carbamic acid 8-bromo-3-[(Z)...)
Show SMILES CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC
Show InChI InChI=1S/C18H22BrN3O2/c1-4-10-22-13-8-9-14(24-18(23)20-3)16(19)15(13)11-6-7-12(17(11)22)21-5-2/h8-9H,4-7,10H2,1-3H3,(H,20,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288974
PNG
(CHEMBL155863 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21
Show InChI InChI=1S/C17H21N3O2/c1-4-9-19-14-7-6-12-13-10-11(22-17(21)18-2)5-8-15(13)20(3)16(12)14/h5,8,10H,4,6-7,9H2,1-3H3,(H,18,21)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288971
PNG
(CHEMBL156919 | [4-Methyl-1,4-dihydro-2H-cyclopenta...)
Show SMILES CCCN=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C15H18N2/c1-3-10-16-13-9-8-12-11-6-4-5-7-14(11)17(2)15(12)13/h4-7H,3,8-10H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288976
PNG
(CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21
Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288977
PNG
(CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21
Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288979
PNG
(CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC
Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288968
PNG
(CHEMBL156931 | Methyl-carbamic acid 4-methyl-3-[(Z...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC
Show InChI InChI=1S/C15H17N3O2/c1-16-12-6-5-10-11-8-9(20-15(19)17-2)4-7-13(11)18(3)14(10)12/h4,7-8H,5-6H2,1-3H3,(H,17,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288980
PNG
(CHEMBL158041 | [4-Methyl-1,4-dihydro-2H-cyclopenta...)
Show SMILES Cn1c2C(CCc2c2ccccc12)=NCc1ccncc1
Show InChI InChI=1S/C18H17N3/c1-21-17-5-3-2-4-14(17)15-6-7-16(18(15)21)20-12-13-8-10-19-11-9-13/h2-5,8-11H,6-7,12H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288978
PNG
(CHEMBL348083 | Isopropyl-[4-methyl-1,4-dihydro-2H-...)
Show SMILES CC(C)N=C1CCc2c1n(C)c1ccccc21
Show InChI InChI=1S/C15H18N2/c1-10(2)16-13-9-8-12-11-6-4-5-7-14(11)17(3)15(12)13/h4-7,10H,8-9H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288972
PNG
(CHEMBL350464 | Methyl-carbamic acid 3-[(Z)-ethylim...)
Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21
Show InChI InChI=1S/C16H19N3O2/c1-4-18-13-7-6-11-12-9-10(21-16(20)17-2)5-8-14(12)19(3)15(11)13/h5,8-9H,4,6-7H2,1-3H3,(H,17,20)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288966
PNG
(CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...)
Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC
Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50288982
PNG
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21
Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50288975
PNG
(CHEMBL445916 | Methyl-carbamic acid 8-bromo-3-[(Z)...)
Show SMILES CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC
Show InChI InChI=1S/C18H22BrN3O2/c1-4-10-22-13-8-9-14(24-18(23)20-3)16(19)15(13)11-6-7-12(17(11)22)21-5-2/h8-9H,4-7,10H2,1-3H3,(H,20,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%