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BDBM177683 US9120771, KHG26771

SMILES: O=C(OC(C1CNC1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=IIYIEZQVFYKYOZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 177683   
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 dopamine transporter


(Homo sapiens (Human))
BDBM177683
PNG
(US9120771, KHG26771)
Show SMILES O=C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)20-16(15-11-18-12-15)13-7-3-1-4-8-13/h1-10,15-16,18H,11-12H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.68E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...


US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM177683
PNG
(US9120771, KHG26771)
Show SMILES O=C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)20-16(15-11-18-12-15)13-7-3-1-4-8-13/h1-10,15-16,18H,11-12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 402n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...


US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair