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BDBM138157 US8877798, Table 3, Structure 3

SMILES: CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=YCEPPWZMXQMHRV-HQVZTVAUSA-N

Data: 3 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 3 hits for monomerid = 138157   
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


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
13n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
32n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM138157
PNG
(US8877798, Table 3, Structure 3)
Show SMILES CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
88n/an/an/an/an/an/an/an/a



Neurovance, Inc.

US Patent


Assay Description
Binding assay using NET, DAT and SERT enzyme.


US Patent US8877798 (2014)


BindingDB Entry DOI: 10.7270/Q21R6P76
More data for this
Ligand-Target Pair