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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'franz' and Initial = 'ak'   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50398088
PNG
(CHEMBL2097001)
Show SMILES C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20+,21-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of angiotensin converting enzyme (unknown origin)


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50400815
PNG
((S)-VENLAFAXINE | VENLAFAXINE)
Show SMILES COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin) assessed as serotonin reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183656
PNG
((R)-1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Show InChI InChI=1S/C16H27NO2Si/c1-17(2)13-16(20(18)11-5-4-6-12-20)14-7-9-15(19-3)10-8-14/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin) assessed as noradrenaline reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50400815
PNG
((S)-VENLAFAXINE | VENLAFAXINE)
Show SMILES COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m1/s1
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n/an/a 149n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin) assessed as noradrenaline reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183656
PNG
((R)-1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Show InChI InChI=1S/C16H27NO2Si/c1-17(2)13-16(20(18)11-5-4-6-12-20)14-7-9-15(19-3)10-8-14/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin) assessed as noradrenaline reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183656
PNG
((R)-1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Show InChI InChI=1S/C16H27NO2Si/c1-17(2)13-16(20(18)11-5-4-6-12-20)14-7-9-15(19-3)10-8-14/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin) assessed as serotonin reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50183656
PNG
((R)-1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Show InChI InChI=1S/C16H27NO2Si/c1-17(2)13-16(20(18)11-5-4-6-12-20)14-7-9-15(19-3)10-8-14/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m0/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin) assessed as dopamine reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50183656
PNG
((R)-1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Show InChI InChI=1S/C16H27NO2Si/c1-17(2)13-16(20(18)11-5-4-6-12-20)14-7-9-15(19-3)10-8-14/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m0/s1
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n/an/a 3.17E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin) assessed as serotonin reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50400815
PNG
((S)-VENLAFAXINE | VENLAFAXINE)
Show SMILES COc1ccc(cc1)[C@@H](CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m1/s1
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PubMed
n/an/a 4.43E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin) assessed as dopamine reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50183656
PNG
((R)-1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)...)
Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[Si]1(O)CCCCC1
Show InChI InChI=1S/C16H27NO2Si/c1-17(2)13-16(20(18)11-5-4-6-12-20)14-7-9-15(19-3)10-8-14/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m0/s1
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PubMed
n/an/a 5.27E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin) assessed as dopamine reuptake


J Med Chem 56: 388-405 (2013)


Article DOI: 10.1021/jm3010114
BindingDB Entry DOI: 10.7270/Q2P270F0
More data for this
Ligand-Target Pair