BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50009568   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50085072
PNG
(1-{2-[(3-Fluoro-phenyl)-(4-fluoro-phenyl)-methoxy]...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C28H32F2N2O/c29-26-13-11-24(12-14-26)28(25-9-4-10-27(30)22-25)33-21-20-32-18-16-31(17-19-32)15-5-8-23-6-2-1-3-7-23/h1-4,6-7,9-14,22,28H,5,8,15-21H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Competitive binding versus [N-methyl-3H]-WIN 35,428 in murine kidney cells transfected with human dopamine transporter


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50085071
PNG
(3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...)
Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro affinity determined using [3H]-WIN- 35428 in murine kidney cells transfected with human dopamine transporter (DAT)


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50085071
PNG
(3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...)
Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.670n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro affinity determined using [3H]-citalopram in murine kidney cells transfected with human serotonin transporter (SERT)


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50085069
PNG
(3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...)
Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition constant against [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with human dopamine transporter.


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50028091
PNG
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.08n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human dopamine transporter


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50085069
PNG
(3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...)
Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
427n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human serotonin transporter.


J Med Chem 43: 639-48 (2000)


Article DOI: 10.1021/jm9902234
BindingDB Entry DOI: 10.7270/Q27S7N07
More data for this
Ligand-Target Pair