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BDBM50407769 CHEMBL301765

SMILES: C1CN(CCN1)c1nc2ccsc2n2cccc12

InChI Key: InChIKey=XYOILXJZQNPSEP-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50407769   
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)
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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UniChem

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Article
PubMed
n/an/a 12n/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 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]granisetron as radioligand


J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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PubMed
n/an/a 2.63E+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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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PubMed
n/an/a 13.8n/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))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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PubMed
n/an/a 58.9n/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 2a (5-HT2a) receptor


(BOVINE)
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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Article
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand


J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 603n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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PubMed
n/an/a 58.9n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 603n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]5-HT as radioligand


J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
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n/an/a 34.7n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]N-methyl-mesulergine as radioligand


J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
PDB

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UniChem

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Article
PubMed
n/an/a 13.8n/an/an/an/an/an/a



Universit£ de Caen

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]5-HT as radioligand


J Med Chem 40: 1808-19 (1997)


Article DOI: 10.1021/jm960501o
BindingDB Entry DOI: 10.7270/Q20R9QMC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50407769
PNG
(CHEMBL301765)
Show SMILES C1CN(CCN1)c1nc2ccsc2n2cccc12
Show InChI InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
Reactome pathway
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Article
PubMed
n/an/a 34.7n/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