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BDBM85942 4FTMP

SMILES: COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(F)cc1

InChI Key: InChIKey=XISBAJBPDVRSPG-QWHCGFSZSA-N

Data: 2 KI

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 = 85942   
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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM85942
PNG
(4FTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM85942
PNG
(4FTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mercer University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 527-35 (2002)


Article DOI: 10.1021/acs.biochem.5b01325
BindingDB Entry DOI: 10.7270/Q2C53JFB
More data for this
Ligand-Target Pair