BindingDB logo
myBDB logout

BDBM50136188 2-[3-Phenyl-3-(2-trifluoromethyl-phenoxy)-propyl]-1,2,3,4-tetrahydro-isoquinoline-6,7-diol::CHEMBL346619

SMILES: Oc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1O

InChI Key: InChIKey=KCMGKHORSUDFCC-UHFFFAOYSA-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 = 50136188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50136188
PNG
(2-[3-Phenyl-3-(2-trifluoromethyl-phenoxy)-propyl]-...)
Show SMILES Oc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1O
Show InChI InChI=1S/C25H24F3NO3/c26-25(27,28)20-8-4-5-9-24(20)32-23(17-6-2-1-3-7-17)11-13-29-12-10-18-14-21(30)22(31)15-19(18)16-29/h1-9,14-15,23,30-31H,10-13,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Faes Farma SA

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter (SERT) by displacement of [3H]paroxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136188
PNG
(2-[3-Phenyl-3-(2-trifluoromethyl-phenoxy)-propyl]-...)
Show SMILES Oc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1O
Show InChI InChI=1S/C25H24F3NO3/c26-25(27,28)20-8-4-5-9-24(20)32-23(17-6-2-1-3-7-17)11-13-29-12-10-18-14-21(30)22(31)15-19(18)16-29/h1-9,14-15,23,30-31H,10-13,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Faes Farma SA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat prefrontal cerebral cortex mambranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50136188
PNG
(2-[3-Phenyl-3-(2-trifluoromethyl-phenoxy)-propyl]-...)
Show SMILES Oc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1O
Show InChI InChI=1S/C25H24F3NO3/c26-25(27,28)20-8-4-5-9-24(20)32-23(17-6-2-1-3-7-17)11-13-29-12-10-18-14-21(30)22(31)15-19(18)16-29/h1-9,14-15,23,30-31H,10-13,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Faes Farma SA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor (5-HT1A) by displacement of [3H]8-OH-DPAT from rat hippocampus membranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair