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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'jacobs' and Initial = 'rs'   
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
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018100
PNG
((+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-d...)
Show SMILES OC1CC2CCCCC2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018100
PNG
((+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-d...)
Show SMILES OC1CC2CCCCC2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018108
PNG
(4-tert-Butyl-2-(4-phenyl-piperidin-1-yl)-cyclohexa...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](C1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H33NO/c1-21(2,3)18-9-10-20(23)19(15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018094
PNG
((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...)
Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50250399
PNG
(5-Hydroxy-4-{(R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,...)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O |r,c:4,t:17,25|
Show InChI InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018078
PNG
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018117
PNG
(2-(4-Cyclohexyl-piperidin-1-yl)-cyclohexanol | CHE...)
Show SMILES OC1CCCCC1N1CCC(CC1)C1CCCCC1
Show InChI InChI=1S/C17H31NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h14-17,19H,1-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018078
PNG
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018148
PNG
(3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-nap...)
Show SMILES OC1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018127
PNG
(1-[1-(2-Hydroxy-cyclohexyl)-4-phenyl-piperidin-4-y...)
Show SMILES CCC(=O)C1(CCN(CC1)C1CCCCC1O)c1ccccc1
Show InChI InChI=1S/C20H29NO2/c1-2-19(23)20(16-8-4-3-5-9-16)12-14-21(15-13-20)17-10-6-7-11-18(17)22/h3-5,8-9,17-18,22H,2,6-7,10-15H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018090
PNG
(CHEMBL20382 | N-[6-Hydroxy-7-(4-phenyl-piperidin-1...)
Show SMILES OC1Cc2cccc(NC(=O)CCC(O)=O)c2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-23-15-19-7-4-8-21(26-24(29)9-10-25(30)31)20(19)16-22(23)27-13-11-18(12-14-27)17-5-2-1-3-6-17/h1-8,18,22-23,28H,9-16H2,(H,26,29)(H,30,31)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018134
PNG
(CHEMBL20499 | N-[6-Hydroxy-7-(4-phenyl-piperidin-1...)
Show SMILES CC(=O)Nc1cccc2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-16(26)24-21-9-5-8-19-14-23(27)22(15-20(19)21)25-12-10-18(11-13-25)17-6-3-2-4-7-17/h2-9,18,22-23,27H,10-15H2,1H3,(H,24,26)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018125
PNG
(2-[4-(3-Phenyl-propyl)-piperidin-1-yl]-cyclohexano...)
Show SMILES OC1CCCCC1N1CCC(CCCc2ccccc2)CC1
Show InChI InChI=1S/C20H31NO/c22-20-12-5-4-11-19(20)21-15-13-18(14-16-21)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18-20,22H,4-6,9-16H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018098
PNG
(5-tert-Butyl-2-(4-phenyl-piperidin-1-yl)-cyclohexa...)
Show SMILES CC(C)(C)[C@H]1CC[C@H]([C@H](O)C1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H33NO/c1-21(2,3)18-9-10-19(20(23)15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018080
PNG
(5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pen...)
Show SMILES OC1Cc2cccc(NC(=O)CCCCC3SCC4NC(=O)NC34)c2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C31H40N4O3S/c36-27-17-22-9-6-10-24(32-29(37)12-5-4-11-28-30-25(19-39-28)33-31(38)34-30)23(22)18-26(27)35-15-13-21(14-16-35)20-7-2-1-3-8-20/h1-3,6-10,21,25-28,30,36H,4-5,11-19H2,(H,32,37)(H2,33,34,38)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018135
PNG
(2-[4-(4-Nitro-phenyl)-piperidin-1-yl]-cyclohexanol...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H24N2O3/c20-17-4-2-1-3-16(17)18-11-9-14(10-12-18)13-5-7-15(8-6-13)19(21)22/h5-8,14,16-17,20H,1-4,9-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018079
PNG
(5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES Nc1cccc2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018110
PNG
(2-[4-(4-Chloro-phenyl)-piperidin-1-yl]-cyclohexano...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018146
PNG
(2-(4-o-Tolyl-piperazin-1-yl)-cyclohexanol | CHEMBL...)
Show SMILES Cc1ccccc1N1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C17H26N2O/c1-14-6-2-3-7-15(14)18-10-12-19(13-11-18)16-8-4-5-9-17(16)20/h2-3,6-7,16-17,20H,4-5,8-13H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018115
PNG
(2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-cyclohe...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C18H28N2O/c1-14-7-8-15(2)17(13-14)20-11-9-19(10-12-20)16-5-3-4-6-18(16)21/h7-8,13,16,18,21H,3-6,9-12H2,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018129
PNG
(3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,2,3,4-t...)
Show SMILES OC1Cc2ccccc2CC1N1CCC(=CC1)c1ccccc1 |c:16|
Show InChI InChI=1S/C21H23NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10,20-21,23H,11-15H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018072
PNG
(3-(4-Phenyl-piperidin-1-yl)-cyclohexane-1,2-diol |...)
Show SMILES O[C@@H]1CCC[C@H]([C@@H]1O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO2/c19-16-8-4-7-15(17(16)20)18-11-9-14(10-12-18)13-5-2-1-3-6-13/h1-3,5-6,14-17,19-20H,4,7-12H2/t15-,16-,17+/m1/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018076
PNG
(2-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES OC1CCCCC1N1CCC(=CC1)c1ccc(Cl)cc1 |c:11|
Show InChI InChI=1S/C17H22ClNO/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-9,16-17,20H,1-4,10-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018092
PNG
(1-(2-Hydroxy-cyclohexyl)-4-phenyl-piperidin-3-ol |...)
Show SMILES OC1CCCCC1N1CCC(C(O)C1)c1ccccc1
Show InChI InChI=1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-11-10-14(17(20)12-18)13-6-2-1-3-7-13/h1-3,6-7,14-17,19-20H,4-5,8-12H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018071
PNG
(5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pen...)
Show SMILES OC1Cc2cccc(NC(=O)CNC(=O)CNC(=O)CCCCC3SCC4NC(=O)NC34)c2CC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C35H46N6O5S/c42-29-17-24-9-6-10-26(25(24)18-28(29)41-15-13-23(14-16-41)22-7-2-1-3-8-22)38-33(45)20-37-32(44)19-36-31(43)12-5-4-11-30-34-27(21-47-30)39-35(46)40-34/h1-3,6-10,23,27-30,34,42H,4-5,11-21H2,(H,36,43)(H,37,44)(H,38,45)(H2,39,40,46)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018091
PNG
(2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexa...)
Show SMILES OC1CCCCC1N1CCC(=CC1)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,10,16-17,19H,4-5,8-9,11-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018147
PNG
(CHEMBL20429 | N-{4-[1-(2-Hydroxy-cyclohexyl)-piper...)
Show SMILES OC1CCCCC1N1CCC(CC1)C1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C22H40N2O2/c25-21-7-3-1-5-19(21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-6-2-4-8-22(20)26/h17-22,25-26H,1-16H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018132
PNG
(2-(4-{3-[1-(2-hydroxycyclohexyl)hexahydro-4-pyridi...)
Show SMILES OC1CCCCC1N1CCC(CCCC2CCN(CC2)C2CCCCC2O)CC1
Show InChI InChI=1S/C25H46N2O2/c28-24-10-3-1-8-22(24)26-16-12-20(13-17-26)6-5-7-21-14-18-27(19-15-21)23-9-2-4-11-25(23)29/h20-25,28-29H,1-19H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50478548
PNG
(CHEMBL478091)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCCC2(C)C |r,t:9|
Show InChI InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)18(22)9-12-24(4)19-8-7-16(14-26)17(15-27)25(19,5)21(28)13-20(23)24/h7,14-15,17-21,28H,6,8-13H2,1-5H3/t17-,18-,19-,20+,21+,23-,24-,25+/m0/s1
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University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50478547
PNG
(Luffariellolide)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O |c:9,t:22|
Show InChI InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+
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n/an/a 230n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50478546
PNG
((4E,6E)-Dehydromanoalide | CHEMBL482592)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(C=O)=C/C=C/C1=CC(=O)O[C@H]1O |r,c:4,t:23|
Show InChI InChI=1S/C25H34O4/c1-18(13-14-22-19(2)9-7-15-25(22,3)4)8-5-10-20(17-26)11-6-12-21-16-23(27)29-24(21)28/h6,8,11-12,16-17,24,28H,5,7,9-10,13-15H2,1-4H3/b12-6+,18-8+,20-11+/t24-/m1/s1
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University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018101
PNG
(CHEMBL278382 | N-[6-Hydroxy-4-iodo-7-(4-phenyl-pip...)
Show SMILES CC(=O)Nc1ccc(I)c2CC(O)C(Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H27IN2O2/c1-15(27)25-21-8-7-20(24)18-14-23(28)22(13-19(18)21)26-11-9-17(10-12-26)16-5-3-2-4-6-16/h2-8,17,22-23,28H,9-14H2,1H3,(H,25,27)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018124
PNG
(2-[4-(2,4-Dinitro-phenyl)-piperidin-1-yl]-cyclohex...)
Show SMILES OC1CCCCC1N1CCC(CC1)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H23N3O5/c21-17-4-2-1-3-15(17)18-9-7-12(8-10-18)14-6-5-13(19(22)23)11-16(14)20(24)25/h5-6,11-12,15,17,21H,1-4,7-10H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018085
PNG
((+/-)-trans-2-hydroxy-3-(4-(2-methoxyphenyl)1-pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C1CC2CCCCC2CC1O
Show InChI InChI=1S/C21H32N2O2/c1-25-21-9-5-4-8-18(21)22-10-12-23(13-11-22)19-14-16-6-2-3-7-17(16)15-20(19)24/h4-5,8-9,16-17,19-20,24H,2-3,6-7,10-15H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018106
PNG
(1-(4-Phenyl-piperidin-1-yl)-butan-2-ol | CHEMBL283...)
Show SMILES CCC(O)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C15H23NO/c1-2-15(17)12-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018111
PNG
(2-(3-Methyl-4-phenyl-piperazin-1-yl)-cyclohexanol ...)
Show SMILES CC1CN(CCN1c1ccccc1)C1CCCCC1O
Show InChI InChI=1S/C17H26N2O/c1-14-13-18(16-9-5-6-10-17(16)20)11-12-19(14)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018112
PNG
(2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-c...)
Show SMILES OC1CCCCC1N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C18H26N2O3/c21-16-4-2-1-3-15(16)20-9-7-19(8-10-20)12-14-5-6-17-18(11-14)23-13-22-17/h5-6,11,15-16,21H,1-4,7-10,12-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018082
PNG
(2-(4-Phenyl-piperazin-1-yl)-cyclohexanol | CHEMBL2...)
Show SMILES OC1CCCCC1N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c19-16-9-5-4-8-15(16)18-12-10-17(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018085
PNG
((+/-)-trans-2-hydroxy-3-(4-(2-methoxyphenyl)1-pipe...)
Show SMILES COc1ccccc1N1CCN(CC1)C1CC2CCCCC2CC1O
Show InChI InChI=1S/C21H32N2O2/c1-25-21-9-5-4-8-18(21)22-10-12-23(13-11-22)19-14-16-6-2-3-7-17(16)15-20(19)24/h4-5,8-9,16-17,19-20,24H,2-3,6-7,10-15H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018122
PNG
(2-(4-Benzyl-piperidin-1-yl)-cyclohexanol | CHEMBL2...)
Show SMILES OC1CCCCC1N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018150
PNG
(2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-cyclohexan...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C17H26N2O2/c1-21-15-8-6-14(7-9-15)18-10-12-19(13-11-18)16-4-2-3-5-17(16)20/h6-9,16-17,20H,2-5,10-13H2,1H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018104
PNG
(2-[4-(4-Dimethylamino-phenyl)-piperidin-1-yl]-cycl...)
Show SMILES CN(C)c1ccc(cc1)C1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C19H30N2O/c1-20(2)17-9-7-15(8-10-17)16-11-13-21(14-12-16)18-5-3-4-6-19(18)22/h7-10,16,18-19,22H,3-6,11-14H2,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018138
PNG
(8-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrah...)
Show SMILES Nc1cccc2CC(C(O)Cc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-20(21(24)14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018089
PNG
(2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cycloh...)
Show SMILES CNc1ccc(cc1)C1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C18H28N2O/c1-19-16-8-6-14(7-9-16)15-10-12-20(13-11-15)17-4-2-3-5-18(17)21/h6-9,15,17-19,21H,2-5,10-13H2,1H3
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n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018099
PNG
(CHEMBL417277 | N-[7-Hydroxy-6-(4-phenyl-piperidin-...)
Show SMILES OC1Cc2c(CC1N1CCC(CC1)c1ccccc1)cccc2NC(=O)CCC(O)=O
Show InChI InChI=1S/C25H30N2O4/c28-23-16-20-19(7-4-8-21(20)26-24(29)9-10-25(30)31)15-22(23)27-13-11-18(12-14-27)17-5-2-1-3-6-17/h1-8,18,22-23,28H,9-16H2,(H,26,29)(H,30,31)
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018120
PNG
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | CHEMBL2...)
Show SMILES O[C@H]1CCCC[C@@H]1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018096
PNG
(4-(4-Chloro-phenyl)-1-(2-hydroxy-cyclohexyl)-piper...)
Show SMILES OC1CCCCC1N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(21)9-11-19(12-10-17)15-3-1-2-4-16(15)20/h5-8,15-16,20-21H,1-4,9-12H2
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018086
PNG
(2-[4-(4-Amino-phenyl)-piperidin-1-yl]-cyclohexanol...)
Show SMILES Nc1ccc(cc1)C1CCN(CC1)C1CCCCC1O
Show InChI InChI=1S/C17H26N2O/c18-15-7-5-13(6-8-15)14-9-11-19(12-10-14)16-3-1-2-4-17(16)20/h5-8,14,16-17,20H,1-4,9-12,18H2
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018130
PNG
(2-Phenyl-6-(4-phenyl-piperidin-1-yl)-cyclohexanol ...)
Show SMILES O[C@H]1[C@@H](CCC[C@H]1c1ccccc1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c25-23-21(20-10-5-2-6-11-20)12-7-13-22(23)24-16-14-19(15-17-24)18-8-3-1-4-9-18/h1-6,8-11,19,21-23,25H,7,12-17H2/t21-,22+,23+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
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