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BDBM50016545 CHEMBL3278291

InChI string: InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1

SMILES: [H][C@@]12CCCC[C@@]1([H])CC(C(N)C2)c1ccccc1

InChI Key: InChIKey=WLYIQVUZQRWOSU-FXQLRMTLSA-N

Data: 8 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 8 hits for monomerid = 50016545   
Target
(Institution)
LigandTarget
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
Transporter


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PubMed
n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PubMed
n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PC sid
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PubMed
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)

More data for this
Ligand-Target Pair