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BDBM85933 TMP

SMILES: COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1

InChI Key: InChIKey=DUGOZIWVEXMGBE-QWHCGFSZSA-N

Data: 2 KI  1 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 3 hits for monomerid = 85933   
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))
BDBM85933
PNG
(TMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r|
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1
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Article
PubMed
83n/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))
BDBM85933
PNG
(TMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r|
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Patents

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
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM85933
PNG
(TMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccccc1 |r|
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1
MMDB

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KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1799-802 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.097
BindingDB Entry DOI: 10.7270/Q2T43SJ8
More data for this
Ligand-Target Pair