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BDBM50191613 (S)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide::CHEMBL211215

SMILES: CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1

InChI Key: InChIKey=PLUNBASRAODYBA-INIZCTEOSA-N

Data: 2 KI  1 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 = 50191613   
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50191613
PNG
((S)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50191613
PNG
((S)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50191613
PNG
((S)-3-(ethyl(3-(5-fluoro-1H-indol-3-yl)propyl)amin...)
Show SMILES CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-28(9-3-4-14-12-27-21-8-5-15(24)10-18(14)21)16-11-19-17(23(26)29)6-7-20(25)22(19)30-13-16/h5-8,10,12,16,27H,2-4,9,11,13H2,1H3,(H2,26,29)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37.3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair