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BDBM50408171 CHEMBL53490

SMILES: C1CN(CCN1)c1nc2cccnc2n2cccc12

InChI Key: InChIKey=BBZRRZHQHYRCIA-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 = 50408171   
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)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50408171
PNG
(CHEMBL53490)
Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12
Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/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 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50408171
PNG
(CHEMBL53490)
Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12
Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/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
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50408171
PNG
(CHEMBL53490)
Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12
Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
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PC sid
UniChem

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Article
PubMed
n/an/a 1.45E+4n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50408171
PNG
(CHEMBL53490)
Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12
Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64.6n/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 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50408171
PNG
(CHEMBL53490)
Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12
Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 151n/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))
BDBM50408171
PNG
(CHEMBL53490)
Show SMILES C1CN(CCN1)c1nc2cccnc2n2cccc12
Show InChI InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 269n/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