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BDBM50191620 CHEMBL213639::rac-8-fluoro-3-[[2-(5-fluoro-1H-indol-3-yl)ethyl](propyl)amino] chromane-5-carboxamide

SMILES: CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1

InChI Key: InChIKey=UTWODMYAWGDPAE-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50191620   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50191620
PNG
(CHEMBL213639 | rac-8-fluoro-3-[[2-(5-fluoro-1H-ind...)
Show SMILES CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
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PC cid
PC sid
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Article
PubMed
17.6n/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


(Rattus norvegicus (rat))
BDBM50191620
PNG
(CHEMBL213639 | rac-8-fluoro-3-[[2-(5-fluoro-1H-ind...)
Show SMILES CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
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PC sid
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Article
PubMed
88n/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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50191620
PNG
(CHEMBL213639 | rac-8-fluoro-3-[[2-(5-fluoro-1H-ind...)
Show SMILES CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
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PubMed
n/an/a>1.00E+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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50191620
PNG
(CHEMBL213639 | rac-8-fluoro-3-[[2-(5-fluoro-1H-ind...)
Show SMILES CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C23H25F2N3O2/c1-2-8-28(9-7-14-12-27-21-6-3-15(24)10-18(14)21)16-11-19-17(23(26)29)4-5-20(25)22(19)30-13-16/h3-6,10,12,16,27H,2,7-9,11,13H2,1H3,(H2,26,29)
Reactome pathway
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PC sid
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Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by inhibition of 8-OH-DPAT-induced decrease in forskolin-stimulated cAMP production


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