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BDBM50453092 CHEMBL2373745

SMILES: [H][C@@]12CCC([C@H]([C@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)OC)N2C

InChI Key: InChIKey=YDHBZQLWPITXGF-VOFREWHGSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50453092   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453092
PNG
(CHEMBL2373745)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(F)(F)F)N2C
Show InChI InChI=1S/C17H20F3NO2/c1-21-12-7-8-14(21)15(16(22)23-2)13(9-12)10-3-5-11(6-4-10)17(18,19)20/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.


J Med Chem 34: 2719-25 (1991)


Article DOI: 10.1021/jm00113a008
BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453092
PNG
(CHEMBL2373745)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(F)(F)F)N2C
Show InChI InChI=1S/C17H20F3NO2/c1-21-12-7-8-14(21)15(16(22)23-2)13(9-12)10-3-5-11(6-4-10)17(18,19)20/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453092
PNG
(CHEMBL2373745)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(F)(F)F)N2C
Show InChI InChI=1S/C17H20F3NO2/c1-21-12-7-8-14(21)15(16(22)23-2)13(9-12)10-3-5-11(6-4-10)17(18,19)20/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair