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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'olivucci' 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
Acetylcholinesterase


(Homo sapiens (Human))
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 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19187
PNG
((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...)
Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50248715
PNG
((E)-2-{4-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-16(8-10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
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TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589563
PNG
(CHEMBL5183930)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
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n/an/a 91n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 93n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50589563
PNG
(CHEMBL5183930)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
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n/an/a 95n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589560
PNG
(CHEMBL5207442)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)ccc3C2=O)cc1
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n/an/a 113n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589557
PNG
(CHEMBL5206198)
Show SMILES CCN(CC)Cc1ccc(C=C2Cc3cc(OC)c(OC)cc3C2=O)cc1
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n/an/a 253n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589560
PNG
(CHEMBL5207442)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)ccc3C2=O)cc1
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n/an/a 260n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589561
PNG
(CHEMBL5185134)
Show SMILES CCN(CC)Cc1ccc(C=C2Cc3cc(OC)ccc3C2=O)cc1
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n/an/a 505n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589558
PNG
(CHEMBL5181301)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccccc3C2=O)cc1
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n/an/a 612n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589558
PNG
(CHEMBL5181301)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccccc3C2=O)cc1
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n/an/a 661n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50248715
PNG
((E)-2-{4-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-16(8-10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
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n/an/a 783n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589563
PNG
(CHEMBL5183930)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3ccc(OC)cc3C2=O)cc1
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n/an/a 964n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589564
PNG
(CHEMBL5204407)
Show SMILES CCN(CC)Cc1ccc(C=C2Cc3ccc(OC)cc3C2=O)cc1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589562
PNG
(CHEMBL5209347)
Show SMILES CCN(CC)Cc1ccc(\C=C2\Cc3cc(OC)ccc3C2=O)cc1
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50589559
PNG
(CHEMBL5178629)
Show SMILES CCN(CC)Cc1ccc(C=C2Cc3ccccc3C2=O)cc1
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n/an/a 1.31E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589561
PNG
(CHEMBL5185134)
Show SMILES CCN(CC)Cc1ccc(C=C2Cc3cc(OC)ccc3C2=O)cc1
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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50589562
PNG
(CHEMBL5209347)
Show SMILES CCN(CC)Cc1ccc(\C=C2\Cc3cc(OC)ccc3C2=O)cc1
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n/an/a 1.94E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
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 4.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00042c
BindingDB Entry DOI: 10.7270/Q2BV7MK2
More data for this
Ligand-Target Pair