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BDBM85937 3CTMPNMe

SMILES: COC(=O)[C@@H]([C@@H]1CCCCN1C)c1cccc(Cl)c1

InChI Key: InChIKey=CCEXSBJFYDQYOG-UONOGXRCSA-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 = 85937   
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))
BDBM85937
PNG
(3CTMPNMe)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H20ClNO2/c1-17-9-4-3-8-13(17)14(15(18)19-2)11-6-5-7-12(16)10-11/h5-7,10,13-14H,3-4,8-9H2,1-2H3/t13-,14+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
160n/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))
BDBM85937
PNG
(3CTMPNMe)
Show SMILES COC(=O)[C@@H]([C@@H]1CCCCN1C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H20ClNO2/c1-17-9-4-3-8-13(17)14(15(18)19-2)11-6-5-7-12(16)10-11/h5-7,10,13-14H,3-4,8-9H2,1-2H3/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