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BDBM50191625 CHEMBL208605::rac-3-{ethyl[4-(5-fluoro-1H-indol-3-yl)butyl]amino}-8-fluorochromane-5-carboxamide

SMILES: CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1

InChI Key: InChIKey=NGERZXQKWVCCOB-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 = 50191625   
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))
BDBM50191625
PNG
(CHEMBL208605 | rac-3-{ethyl[4-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.400n/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))
BDBM50191625
PNG
(CHEMBL208605 | rac-3-{ethyl[4-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
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Article
PubMed
330n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50191625
PNG
(CHEMBL208605 | rac-3-{ethyl[4-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
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PubMed
n/an/a>1.00E+3n/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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50191625
PNG
(CHEMBL208605 | rac-3-{ethyl[4-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.1n/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