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SMILES: COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2

InChI Key: InChIKey=ADPKSMMVDLGXJF-UHFFFAOYSA-N

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 = 50175644   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.76n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair