BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'petersen' and Initial = 'md'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304053
PNG
(CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.580n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304049
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35|
Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.860n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304049
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35|
Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304053
PNG
(CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.5n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304045
PNG
(CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 2.70n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304046
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36|
Show InChI InChI=1S/C40H51Cl2N5O4/c1-45-31-16-18-35(45)37(33(22-31)26-8-12-28(41)13-9-26)39(48)50-21-7-5-3-4-6-20-47-24-30(43-44-47)25-51-40(49)38-34(27-10-14-29(42)15-11-27)23-32-17-19-36(38)46(32)2/h8-15,24,31-38H,3-7,16-23,25H2,1-2H3/t31?,32?,33-,34-,35?,36?,37-,38+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304046
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36|
Show InChI InChI=1S/C40H51Cl2N5O4/c1-45-31-16-18-35(45)37(33(22-31)26-8-12-28(41)13-9-26)39(48)50-21-7-5-3-4-6-20-47-24-30(43-44-47)25-51-40(49)38-34(27-10-14-29(42)15-11-27)23-32-17-19-36(38)46(32)2/h8-15,24,31-38H,3-7,16-23,25H2,1-2H3/t31?,32?,33-,34-,35?,36?,37-,38+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50211035
PNG
((1S,2S,3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-a...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50211035
PNG
((1S,2S,3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-a...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]SER uptake in human SERT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 4.20n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304047
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-ox...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1 |r,TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C22H29ClN4O2/c1-26-18-9-10-20(26)21(19(15-18)16-5-7-17(23)8-6-16)22(28)29-14-4-2-3-12-27-13-11-24-25-27/h5-8,11,13,18-21H,2-4,9-10,12,14-15H2,1H3/t18?,19-,20?,21+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 5.5n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50211035
PNG
((1S,2S,3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-a...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304048
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31|
Show InChI InChI=1S/C38H44Cl2N4O2/c1-43-29-15-17-33(43)35(31(21-29)24-5-9-26(39)10-6-24)37(45)41-20-19-23-3-13-28(14-4-23)42-38(46)36-32(25-7-11-27(40)12-8-25)22-30-16-18-34(36)44(30)2/h3-14,29-36H,15-22H2,1-2H3,(H,41,45)(H,42,46)/t29?,30?,31-,32-,33?,34?,35-,36+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.60n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304049
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35|
Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.5n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50211035
PNG
((1S,2S,3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-a...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human DAT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50211035
PNG
((1S,2S,3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-a...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 10n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human NET expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304050
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31|
Show InChI InChI=1S/C35H41Cl2N5O4/c1-40-26-11-13-30(40)32(28(17-26)21-3-7-23(36)8-4-21)34(43)45-16-15-42-19-25(38-39-42)20-46-35(44)33-29(22-5-9-24(37)10-6-22)18-27-12-14-31(33)41(27)2/h3-10,19,26-33H,11-18,20H2,1-2H3/t26?,27?,28-,29-,30?,31?,32-,33+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 19n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304047
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-ox...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCn1ccnn1 |r,TLB:16:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C22H29ClN4O2/c1-26-18-9-10-20(26)21(19(15-18)16-5-7-17(23)8-6-16)22(28)29-14-4-2-3-12-27-13-11-24-25-27/h5-8,11,13,18-21H,2-4,9-10,12,14-15H2,1H3/t18?,19-,20?,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304046
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:40:39:47:35.36,16:6:1:3.4,THB:9:7:1:3.4,31:33:47:35.36|
Show InChI InChI=1S/C40H51Cl2N5O4/c1-45-31-16-18-35(45)37(33(22-31)26-8-12-28(41)13-9-26)39(48)50-21-7-5-3-4-6-20-47-24-30(43-44-47)25-51-40(49)38-34(27-10-14-29(42)15-11-27)23-32-17-19-36(38)46(32)2/h8-15,24,31-38H,3-7,16-23,25H2,1-2H3/t31?,32?,33-,34-,35?,36?,37-,38+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304051
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32|
Show InChI InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304052
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,34:33:41:29.30,THB:9:7:1:3.4,25:27:41:29.30|
Show InChI InChI=1S/C37H42Cl2N4O2/c1-42-28-15-17-32(42)34(30(19-28)23-5-9-25(38)10-6-23)36(44)40-21-22-3-13-27(14-4-22)41-37(45)35-31(24-7-11-26(39)12-8-24)20-29-16-18-33(35)43(29)2/h3-14,28-35H,15-21H2,1-2H3,(H,40,44)(H,41,45)/t28?,29?,30-,31-,32?,33?,34-,35+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 21n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304045
PNG
(CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 21n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304053
PNG
(CHEMBL595677 | methyl 8-methyl-3-(4-(thiophen-3-yl...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:11:10:22:6.7,THB:2:4:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3/t16?,17-,18?,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 26n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304050
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31|
Show InChI InChI=1S/C35H41Cl2N5O4/c1-40-26-11-13-30(40)32(28(17-26)21-3-7-23(36)8-4-21)34(43)45-16-15-42-19-25(38-39-42)20-46-35(44)33-29(22-5-9-24(37)10-6-22)18-27-12-14-31(33)41(27)2/h3-10,19,26-33H,11-18,20H2,1-2H3/t26?,27?,28-,29-,30?,31?,32-,33+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 27n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50211035
PNG
((1S,2S,3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-a...)
Show SMILES COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 34n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304045
PNG
(CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 39n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304054
PNG
(1-[3beta-(4-Thiophene-3-yl-phenyl)tropane-2beta-ca...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:40:39:51:35.36,20:6:1:3.4,THB:9:7:1:3.4,31:33:51:35.36|
Show InChI InChI=1S/C47H52N4O2S2/c1-50-38-15-17-42(50)44(40(25-38)34-11-7-32(8-12-34)36-20-23-54-28-36)46(52)48-22-19-30-3-5-31(6-4-30)27-49-47(53)45-41(26-39-16-18-43(45)51(39)2)35-13-9-33(10-14-35)37-21-24-55-29-37/h3-14,20-21,23-24,28-29,38-45H,15-19,22,25-27H2,1-2H3,(H,48,52)(H,49,53)/t38?,39?,40-,41-,42?,43?,44-,45+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 62n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304051
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32|
Show InChI InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 65n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50211042
PNG
(CHEMBL388257 | ethyl 4-(naphthalen-2-yl)-1,2,5,6-t...)
Show SMILES CCOC(=O)C1=C(CCNC1)c1ccc2ccccc2c1 |t:5|
Show InChI InChI=1S/C18H19NO2/c1-2-21-18(20)17-12-19-10-9-16(17)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,19H,2,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 79n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304055
PNG
(1,4-Di[3-(4-thiophene-3-yl-phenyl)tropane-2-carbon...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-15-17-41(49)43(39(23-37)33-11-7-31(8-12-33)35-19-21-53-27-35)45(51)47-25-29-3-5-30(6-4-29)26-48-46(52)44-40(24-38-16-18-42(44)50(38)2)34-13-9-32(10-14-34)36-20-22-54-28-36/h3-14,19-22,27-28,37-44H,15-18,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 93n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304051
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:36:35:43:31.32,16:6:1:3.4,THB:9:7:1:3.4,27:29:43:31.32|
Show InChI InChI=1S/C39H46Cl2N4O2/c1-44-30-15-17-34(44)36(32(21-30)26-7-11-28(40)12-8-26)38(46)42-20-19-24-3-5-25(6-4-24)23-43-39(47)37-33(27-9-13-29(41)14-10-27)22-31-16-18-35(37)45(31)2/h3-14,30-37H,15-23H2,1-2H3,(H,42,46)(H,43,47)/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304050
PNG
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:35:34:42:30.31,16:6:1:3.4,THB:9:7:1:3.4,26:28:42:30.31|
Show InChI InChI=1S/C35H41Cl2N5O4/c1-40-26-11-13-30(40)32(28(17-26)21-3-7-23(36)8-4-21)34(43)45-16-15-42-19-25(38-39-42)20-46-35(44)33-29(22-5-9-24(37)10-6-22)18-27-12-14-31(33)41(27)2/h3-10,19,26-33H,11-18,20H2,1-2H3/t26?,27?,28-,29-,30?,31?,32-,33+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 120n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304054
PNG
(1-[3beta-(4-Thiophene-3-yl-phenyl)tropane-2beta-ca...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:40:39:51:35.36,20:6:1:3.4,THB:9:7:1:3.4,31:33:51:35.36|
Show InChI InChI=1S/C47H52N4O2S2/c1-50-38-15-17-42(50)44(40(25-38)34-11-7-32(8-12-34)36-20-23-54-28-36)46(52)48-22-19-30-3-5-31(6-4-30)27-49-47(53)45-41(26-39-16-18-43(45)51(39)2)35-13-9-33(10-14-35)37-21-24-55-29-37/h3-14,20-21,23-24,28-29,38-45H,15-19,22,25-27H2,1-2H3,(H,48,52)(H,49,53)/t38?,39?,40-,41-,42?,43?,44-,45+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 160n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304055
PNG
(1,4-Di[3-(4-thiophene-3-yl-phenyl)tropane-2-carbon...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1ccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-15-17-41(49)43(39(23-37)33-11-7-31(8-12-33)35-19-21-53-27-35)45(51)47-25-29-3-5-30(6-4-29)26-48-46(52)44-40(24-38-16-18-42(44)50(38)2)34-13-9-32(10-14-34)36-20-22-54-28-36/h3-14,19-22,27-28,37-44H,15-18,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 160n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304048
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1 |r,TLB:16:6:1:3.4,35:34:42:30.31,THB:9:7:1:3.4,26:28:42:30.31|
Show InChI InChI=1S/C38H44Cl2N4O2/c1-43-29-15-17-33(43)35(31(21-29)24-5-9-26(39)10-6-24)37(45)41-20-19-23-3-13-28(14-4-23)42-38(46)36-32(25-7-11-27(40)12-8-25)22-30-16-18-34(36)44(30)2/h3-14,29-36H,15-22H2,1-2H3,(H,41,45)(H,42,46)/t29?,30?,31-,32-,33?,34?,35-,36+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 180n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304056
PNG
(1-[3beta-(4-Chlorophenyl)tropane-2beta-carbonyl-am...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)NCCC1CCN(CC1)C(=O)[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:36:35:43:32.31,16:6:1:4.3,THB:9:7:1:4.3,27:29:43:32.31|
Show InChI InChI=1S/C37H48Cl2N4O2/c1-41-28-11-13-32(41)34(30(21-28)24-3-7-26(38)8-4-24)36(44)40-18-15-23-16-19-43(20-17-23)37(45)35-31(25-5-9-27(39)10-6-25)22-29-12-14-33(35)42(29)2/h3-10,23,28-35H,11-22H2,1-2H3,(H,40,44)/t28?,29?,30-,31-,32?,33?,34+,35-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 180n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 182n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human NET expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304057
PNG
(1,4-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bet...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:37:36:48:32.33,20:6:1:3.4,THB:9:7:1:3.4,28:30:48:32.33|
Show InChI InChI=1S/C44H46N4O2S2/c1-47-35-15-17-39(47)41(37(23-35)29-7-3-27(4-8-29)31-19-21-51-25-31)43(49)45-33-11-13-34(14-12-33)46-44(50)42-38(24-36-16-18-40(42)48(36)2)30-9-5-28(6-10-30)32-20-22-52-26-32/h3-14,19-22,25-26,35-42H,15-18,23-24H2,1-2H3,(H,45,49)(H,46,50)/t35?,36?,37-,38-,39?,40?,41-,42+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 210n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50211003
PNG
(CHEMBL243141 | ethyl 4-(3,4-dichlorophenyl)-1,2,5,...)
Show SMILES CCOC(=O)C1=C(CCNC1)c1ccc(Cl)c(Cl)c1 |t:5|
Show InChI InChI=1S/C14H15Cl2NO2/c1-2-19-14(18)11-8-17-6-5-10(11)9-3-4-12(15)13(16)7-9/h3-4,7,17H,2,5-6,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 217n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304058
PNG
(1,3-Di[3-(4-thiophene-3-yl-phenyl)tropane-2-carbon...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCc1cccc(CNC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)c1 |r,TLB:20:6:1:3.4,40:39:51:35.36,THB:9:7:1:3.4,31:33:51:35.36|
Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-14-16-41(49)43(39(23-37)33-10-6-31(7-11-33)35-18-20-53-27-35)45(51)47-25-29-4-3-5-30(22-29)26-48-46(52)44-40(24-38-15-17-42(44)50(38)2)34-12-8-32(9-13-34)36-19-21-54-28-36/h3-13,18-22,27-28,37-44H,14-17,23-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 230n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304059
PNG
(1,10-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bc...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:43:42:54:38.39,20:6:1:3.4,THB:9:7:1:3.4,34:36:54:38.39|
Show InChI InChI=1S/C48H62N4O2S2/c1-51-39-19-21-43(51)45(41(29-39)35-15-11-33(12-16-35)37-23-27-55-31-37)47(53)49-25-9-7-5-3-4-6-8-10-26-50-48(54)46-42(30-40-20-22-44(46)52(40)2)36-17-13-34(14-18-36)38-24-28-56-32-38/h11-18,23-24,27-28,31-32,39-46H,3-10,19-22,25-26,29-30H2,1-2H3,(H,49,53)(H,50,54)/t39?,40?,41-,42-,43?,44?,45-,46+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 250n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50211042
PNG
(CHEMBL388257 | ethyl 4-(naphthalen-2-yl)-1,2,5,6-t...)
Show SMILES CCOC(=O)C1=C(CCNC1)c1ccc2ccccc2c1 |t:5|
Show InChI InChI=1S/C18H19NO2/c1-2-21-18(20)17-12-19-10-9-16(17)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,19H,2,9-10,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 268n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304057
PNG
(1,4-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bet...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:37:36:48:32.33,20:6:1:3.4,THB:9:7:1:3.4,28:30:48:32.33|
Show InChI InChI=1S/C44H46N4O2S2/c1-47-35-15-17-39(47)41(37(23-35)29-7-3-27(4-8-29)31-19-21-51-25-31)43(49)45-33-11-13-34(14-12-33)46-44(50)42-38(24-36-16-18-40(42)48(36)2)30-9-5-28(6-10-30)32-20-22-52-26-32/h3-14,19-22,25-26,35-42H,15-18,23-24H2,1-2H3,(H,45,49)(H,46,50)/t35?,36?,37-,38-,39?,40?,41-,42+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 270n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50193220
PNG
((3S,4S)-methyl 4-(4-iodophenyl)-1-methylpiperidine...)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H18INO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 287n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50193220
PNG
((3S,4S)-methyl 4-(4-iodophenyl)-1-methylpiperidine...)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H18INO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 323n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304060
PNG
(1-[3beta-(4-Thiophene-3-yl-phenyl)tropane-2beta-ca...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCc1ccc(NC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(cc2)-c2ccsc2)N3C)cc1 |r,TLB:39:38:50:34.35,20:6:1:3.4,THB:9:7:1:3.4,30:32:50:34.35|
Show InChI InChI=1S/C46H50N4O2S2/c1-49-37-15-17-41(49)43(39(25-37)32-9-5-30(6-10-32)34-20-23-53-27-34)45(51)47-22-19-29-3-13-36(14-4-29)48-46(52)44-40(26-38-16-18-42(44)50(38)2)33-11-7-31(8-12-33)35-21-24-54-28-35/h3-14,20-21,23-24,27-28,37-44H,15-19,22,25-26H2,1-2H3,(H,47,51)(H,48,52)/t37?,38?,39-,40-,41?,42?,43-,44+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 340n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 347n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human DAT expressed in COS1 cell membrane

Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304059
PNG
(1,10-Di[3beta-(4-thiophene-3-yl-phenyl)tropane-2bc...)
Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(cc1)-c1ccsc1)C(=O)NCCCCCCCCCCNC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccsc1)N2C |r,TLB:43:42:54:38.39,20:6:1:3.4,THB:9:7:1:3.4,34:36:54:38.39|
Show InChI InChI=1S/C48H62N4O2S2/c1-51-39-19-21-43(51)45(41(29-39)35-15-11-33(12-16-35)37-23-27-55-31-37)47(53)49-25-9-7-5-3-4-6-8-10-26-50-48(54)46-42(30-40-20-22-44(46)52(40)2)36-17-13-34(14-18-36)38-24-28-56-32-38/h11-18,23-24,27-28,31-32,39-46H,3-10,19-22,25-26,29-30H2,1-2H3,(H,49,53)(H,50,54)/t39?,40?,41-,42-,43?,44?,45-,46+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 350n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...

Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 256 total )  |  Next  |  Last  >>
Jump to: