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BDBM85934 4MeTMP

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

InChI Key: InChIKey=WJZNCJIOIACDBR-UONOGXRCSA-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 = 85934   
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))
BDBM85934
PNG
(4MeTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14+/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
33n/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))
BDBM85934
PNG
(4MeTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14+/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
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM85934
PNG
(4MeTMP)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14+/m0/s1
MMDB

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B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.43E+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