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BDBM50058290 (2R,3S)-8-Benzyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL55174

SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1

InChI Key: InChIKey=DVAFIFWOFNIVEV-VPMXTDFASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50058290   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine transporter


(Macaca fascicularis)
BDBM50058290
PNG
((2R,3S)-8-Benzyl-3-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,28:27:4.10.9:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C29H29F2NO3/c1-34-29(33)27-25-16-15-24(32(25)18-19-5-3-2-4-6-19)17-26(27)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 223n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen


J Med Chem 40: 1835-44 (1997)


Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50058290
PNG
((2R,3S)-8-Benzyl-3-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,28:27:4.10.9:6.7,THB:2:4:27:6.7|
Show InChI InChI=1S/C29H29F2NO3/c1-34-29(33)27-25-16-15-24(32(25)18-19-5-3-2-4-6-19)17-26(27)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.97E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen


J Med Chem 40: 1835-44 (1997)


Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX
More data for this
Ligand-Target Pair