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BDBM50407752 CHEMBL294368

SMILES: Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1

InChI Key: InChIKey=ZDPNKNSRWQOPMC-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 = 50407752   
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)
BDBM50407752
PNG
(CHEMBL294368)
Show SMILES Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N4S/c21-15-4-3-14(16(22)12-15)13-24-7-9-25(10-8-24)19-18-2-1-6-26(18)20-17(23-19)5-11-27-20/h1-6,11-12H,7-10,13H2
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PC sid
UniChem

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Article
PubMed
n/an/a 17n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50407752
PNG
(CHEMBL294368)
Show SMILES Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N4S/c21-15-4-3-14(16(22)12-15)13-24-7-9-25(10-8-24)19-18-2-1-6-26(18)20-17(23-19)5-11-27-20/h1-6,11-12H,7-10,13H2
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 851n/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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50407752
PNG
(CHEMBL294368)
Show SMILES Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N4S/c21-15-4-3-14(16(22)12-15)13-24-7-9-25(10-8-24)19-18-2-1-6-26(18)20-17(23-19)5-11-27-20/h1-6,11-12H,7-10,13H2
PDB

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Article
PubMed
n/an/a 4.68E+3n/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
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50407752
PNG
(CHEMBL294368)
Show SMILES Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N4S/c21-15-4-3-14(16(22)12-15)13-24-7-9-25(10-8-24)19-18-2-1-6-26(18)20-17(23-19)5-11-27-20/h1-6,11-12H,7-10,13H2
PDB

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PC sid
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Article
PubMed
n/an/a 7.41E+3n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50407752
PNG
(CHEMBL294368)
Show SMILES Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N4S/c21-15-4-3-14(16(22)12-15)13-24-7-9-25(10-8-24)19-18-2-1-6-26(18)20-17(23-19)5-11-27-20/h1-6,11-12H,7-10,13H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 661n/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
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50407752
PNG
(CHEMBL294368)
Show SMILES Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N4S/c21-15-4-3-14(16(22)12-15)13-24-7-9-25(10-8-24)19-18-2-1-6-26(18)20-17(23-19)5-11-27-20/h1-6,11-12H,7-10,13H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.09E+3n/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