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BDBM50152013 6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-chromen-2-one::CHEMBL278471

SMILES: Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1

InChI Key: InChIKey=CMCPGNNULUGJBT-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50152013   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152013
PNG
(6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
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PC sid
UniChem

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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152013
PNG
(6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50152013
PNG
(6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair