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Target
Sequence
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&
Ki
IC50
Kd
EC50
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-TΔS°
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 355.4
BDBM50420215
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Solute carrier family 22 member 2
(RAT)
BDBM50420215
(CHEMBL339858)
Show SMILES
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
Show InChI
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
5.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Heidelberg
Curated by
ChEMBL
Assay Description
TP_TRANSPORTER: inhibition of Dopamine uptake in OCT2-expressing HEK293 cells
J Biol Chem
273:
30915
-
20
(1998)
BindingDB Entry DOI:
10.7270/Q2V40WGS
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2
(RAT)
BDBM50420215
(CHEMBL339858)
Show SMILES
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
Show InChI
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
12
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Heidelberg
Curated by
ChEMBL
Assay Description
TP_TRANSPORTER: inhibition of Adrenaline uptake in OCT2-expressing HEK293 cells
J Biol Chem
273:
30915
-
20
(1998)
BindingDB Entry DOI:
10.7270/Q2V40WGS
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2
(RAT)
BDBM50420215
(CHEMBL339858)
Show SMILES
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
Show InChI
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
13
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Heidelberg
Curated by
ChEMBL
Assay Description
TP_TRANSPORTER: inhibition of Noradrenaline uptake in OCT2-expressing HEK293 cells
J Biol Chem
273:
30915
-
20
(1998)
BindingDB Entry DOI:
10.7270/Q2V40WGS
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2
(RAT)
BDBM50420215
(CHEMBL339858)
Show SMILES
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
Show InChI
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
13
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Heidelberg
Curated by
ChEMBL
Assay Description
TP_TRANSPORTER: inhibition of Serotonin uptake in OCT2-expressing HEK293 cells
J Biol Chem
273:
30915
-
20
(1998)
BindingDB Entry DOI:
10.7270/Q2V40WGS
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3
(Homo sapiens (Human))
BDBM50420215
(CHEMBL339858)
Show SMILES
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
Show InChI
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
15
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Heidelberg
Curated by
ChEMBL
Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HEK293 cells
Nat Neurosci
1:
349
-
51
(1999)
Article DOI:
10.1038/1557
BindingDB Entry DOI:
10.7270/Q2FT8NB9
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1
(RAT)
BDBM50420215
(CHEMBL339858)
Show SMILES
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12 |c:21|
Show InChI
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
110
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Heidelberg
Curated by
ChEMBL
Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells
Naunyn Schmiedebergs Arch Pharmacol
354:
320
-
6
(1997)
Article DOI:
10.1007/bf00171063
BindingDB Entry DOI:
10.7270/Q2MG7QSP
More data for this
Ligand-Target Pair