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BDBM50272710 CHEMBL497666::MDL-28618::N-methyl((1R,2S)-1-(4-(trifluoromethyl)phenoxy)-2,3-dihydro-1H-inden-2-yl)methanamine

SMILES: CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=BDCMARKCSKLIKU-HTCGWVBYNA-N

Data: 3 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 3 hits for monomerid = 50272710   
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))
BDBM50272710
PNG
(CHEMBL497666 | MDL-28618 | N-methyl((1R,2S)-1-(4-(...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/s2
NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK cells


Bioorg Med Chem Lett 18: 4495-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50272710
PNG
(CHEMBL497666 | MDL-28618 | N-methyl((1R,2S)-1-(4-(...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK cells


Bioorg Med Chem Lett 18: 4495-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50272710
PNG
(CHEMBL497666 | MDL-28618 | N-methyl((1R,2S)-1-(4-(...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK cells


Bioorg Med Chem Lett 18: 4495-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8
More data for this
Ligand-Target Pair