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BDBM50274682 8-Fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propylchroman-3-amine::CHEMBL484210

SMILES: CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1

InChI Key: InChIKey=JEIPZRACKXFYIK-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50274682   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50274682
PNG
(8-Fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-me...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1
Show InChI InChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane


J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50274682
PNG
(8-Fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-me...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1
Show InChI InChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50274682
PNG
(8-Fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-me...)
Show SMILES CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1
Show InChI InChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 442n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 51: 6980-7004 (2008)


Article DOI: 10.1021/jm8007097
BindingDB Entry DOI: 10.7270/Q2TT4RWM
More data for this
Ligand-Target Pair