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BDBM50407758 CHEMBL62902

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12

InChI Key: InChIKey=HEUZTEKWBIBQQP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50407758   
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50407758
PNG
(CHEMBL62902)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Show InChI InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
PDB

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UniChem

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Article
PubMed
n/an/a 2.95E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50407758
PNG
(CHEMBL62902)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Show InChI InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.55E+4n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor


J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50407758
PNG
(CHEMBL62902)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Show InChI InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
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PubMed
n/an/a 8.71E+4n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor


J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50407758
PNG
(CHEMBL62902)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Show InChI InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
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n/an/a 1.91E+4n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor


J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50407758
PNG
(CHEMBL62902)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Show InChI InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor


J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50407758
PNG
(CHEMBL62902)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
Show InChI InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
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Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor


J Med Chem 39: 2068-80 (1996)


Article DOI: 10.1021/jm950543x
BindingDB Entry DOI: 10.7270/Q2T72JNC
More data for this
Ligand-Target Pair