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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'teixeira' and Initial = 'kf'   
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))
BDBM50590189
PNG
(CHEMBL5191187)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccccc1)c1ccccc1[N+]([O-])=O |c:4|
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n/an/a 52n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590196
PNG
(CHEMBL5187436)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccccc1)c1ccc2ccccc2c1 |c:4|
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n/an/a 68n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
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 87n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 178n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 190n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590180
PNG
(CHEMBL5179832)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1[N+]([O-])=O)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 640n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590187
PNG
(CHEMBL5197832)
Show SMILES CC(=O)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 799n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590188
PNG
(CHEMBL5189505)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccccc1)c1ccc(C)cc1 |c:4|
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n/an/a 845n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590190
PNG
(CHEMBL5177419)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccccc1)c1ccc(Br)cc1 |c:4|
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n/an/a 903n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590194
PNG
(CHEMBL5184984)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccccc1)c1ccc2OCOc2c1 |c:4|
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n/an/a 912n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590186
PNG
(CHEMBL5188500)
Show SMILES CC(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 988n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590195
PNG
(CHEMBL5185580)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)-c1ccccc1)c1cccc2ccccc12 |c:4|
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n/an/a 1.01E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590181
PNG
(CHEMBL5175686)
Show SMILES CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 1.02E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590192
PNG
(CHEMBL5183314)
Show SMILES COc1ccc(C2=NN(C(C2)c2ccc(cc2)-c2ccccc2)C(C)=O)c(OC)c1 |t:6|
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n/an/a 1.12E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590179
PNG
(CHEMBL5169783)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 1.32E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590185
PNG
(CHEMBL5169502)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(C)=O)c1ccc(cc1)-c1ccccc1 |c:13|
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n/an/a 1.42E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590184
PNG
(CHEMBL5208439)
Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1C(C)=O)c1ccc(cc1)-c1ccccc1 |c:13|
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n/an/a 1.42E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590183
PNG
(CHEMBL5171946)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(O)=O)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 1.54E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590182
PNG
(CHEMBL5182185)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)-c1ccccc1 |c:4|
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n/an/a 1.55E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590193
PNG
(CHEMBL5191224)
Show SMILES COc1ccc(OC)c(c1)C1=NN(C(C1)c1ccc(cc1)-c1ccccc1)C(C)=O |t:11|
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n/an/a 1.70E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.72E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590191
PNG
(CHEMBL5184154)
Show SMILES COc1cc(cc(OC)c1OC)C1=NN(C(C1)c1ccc(cc1)-c1ccccc1)C(C)=O |t:13|
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n/an/a 1.94E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00262k
BindingDB Entry DOI: 10.7270/Q2J67MWD
More data for this
Ligand-Target Pair