BindingDB logo
myBDB logout

PubMed code 8071935

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50453398
PNG
(CHEMBL2373961)
Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r,TLB:8:6:3.2:20,THB:16:5:3.2:20|
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11+,14?,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.790n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.30n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50006239
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N)c(I)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3/t10?,11-,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453091
PNG
(CHEMBL2310929)
Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(Br)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
Show InChI InChI=1S/C16H20BrNO2/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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039990
PNG
((3S,8R)-8-Methyl-3-(4-nitro-phenyl)-8-aza-bicyclo[...)
Show SMILES [H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14+,15?,16?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.71n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)N=[N+]=[N-])C(=O)OC)N2C |r,TLB:22:21:3.2:7.6.5,8:6:3.2:21,THB:17:5:3.2:21|
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039979
PNG
((3S,8R)-3-(4-Fluoro-3-methyl-phenyl)-8-methyl-8-az...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C17H22FNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12?,13-,15?,16?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.95n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039979
PNG
((3S,8R)-3-(4-Fluoro-3-methyl-phenyl)-8-methyl-8-az...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C17H22FNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12?,13-,15?,16?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039977
PNG
((3S,8R)-3-(4-Amino-3-bromo-phenyl)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(N)c(Br)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C16H21BrN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3/t10?,11-,14?,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.90n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039988
PNG
((3S,8R)-3-(3-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1cccc(Cl)c1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3/t12?,13-,14?,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.30n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453093
PNG
(CHEMBL2373744)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(OC)cc1)C(=O)OC)N2C |r,TLB:21:20:3.2:7.6.5,8:6:3.2:20,THB:16:5:3.2:20|
Show InChI InChI=1S/C17H23NO3/c1-18-12-6-9-15(18)16(17(19)21-3)14(10-12)11-4-7-13(20-2)8-5-11/h4-5,7-8,12,14-16H,6,9-10H2,1-3H3/t12-,14-,15?,16+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453097
PNG
(CHEMBL607198)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(N)cc1)C(=O)OC)N2C |r,THB:15:5:19:3.2|
Show InChI InChI=1S/C16H22N2O2/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,7-9,17H2,1-2H3/t12-,13-,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039975
PNG
((3S,8R)-3-(4-Hydroxy-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(O)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H21NO3/c1-17-11-5-8-14(17)15(16(19)20-2)13(9-11)10-3-6-12(18)7-4-10/h3-4,6-7,11,13-15,18H,5,8-9H2,1-2H3/t11?,13-,14?,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453092
PNG
(CHEMBL2373745)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC)N2C |r,TLB:23:22:3.2:7.6.5,8:6:3.2:22,THB:18:5:3.2:22|
Show InChI InChI=1S/C17H20F3NO2/c1-21-12-7-8-14(21)15(16(22)23-2)13(9-12)10-3-5-11(6-4-10)17(18,19)20/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453397
PNG
(CHEMBL2373438)
Show SMILES [H][C@]12CCC(C([C@H](C1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC)N2C |TLB:8:6:21:3.2,THB:17:5:21:3.2|
Show InChI InChI=1S/C16H20N2O4/c1-17-12-7-8-14(17)15(16(19)22-2)13(9-12)10-3-5-11(6-4-10)18(20)21/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14?,15?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
Show InChI InChI=1S/C16H20FNO2/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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039973
PNG
((3S,8R)-3-(3-Fluoro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1cccc(F)c1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20FNO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3/t12?,13-,14?,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039987
PNG
((3S,8R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1cccc(I)c1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3/t12?,13-,14?,15?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50118185
PNG
((3S,8R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[...)
Show SMILES CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3/t14-,15-,16?,17?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 55n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453099
PNG
(CHEMBL2310855)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(C)=O)cc1)C(=O)OC)N2C |r,TLB:23:22:3.2:7.6.5,8:6:3.2:22,THB:18:5:3.2:22|
Show InChI InChI=1S/C18H24N2O3/c1-11(21)19-13-6-4-12(5-7-13)15-10-14-8-9-16(20(14)2)17(15)18(22)23-3/h4-7,14-17H,8-10H2,1-3H3,(H,19,21)/t14-,15-,16?,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 64n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453096
PNG
(CHEMBL2310854)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)CC)cc1)C(=O)OC)N2C |r,TLB:24:23:3.2:7.6.5,8:6:3.2:23,THB:19:5:3.2:23|
Show InChI InChI=1S/C19H26N2O3/c1-4-17(22)20-13-7-5-12(6-8-13)15-11-14-9-10-16(21(14)2)18(15)19(23)24-3/h5-8,14-16,18H,4,9-11H2,1-3H3,(H,20,22)/t14-,15-,16?,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 121n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039992
PNG
((3S,8R)-8-Methyl-3-(4-trimethylstannanyl-phenyl)-8...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1ccc(cc1)[Sn](C)(C)C)N2C |TLB:11:10:21:6.7,THB:2:4:21:6.7|
Show InChI InChI=1S/C16H20NO2.3CH3.Sn/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11;;;;/h4-7,12-15H,8-10H2,1-2H3;3*1H3;/t12?,13-,14?,15?;;;;/m1..../s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 144n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453098
PNG
(CHEMBL2310853)
Show SMILES [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(NC(=O)OCC)cc1)C(=O)OC)N2C |r,TLB:25:24:3.2:7.6.5,8:6:3.2:24,THB:20:5:3.2:24|
Show InChI InChI=1S/C19H26N2O4/c1-4-25-19(23)20-13-7-5-12(6-8-13)15-11-14-9-10-16(21(14)2)17(15)18(22)24-3/h5-8,14-17H,4,9-11H2,1-3H3,(H,20,23)/t14-,15-,16?,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 316n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%