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SMILES: Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1

InChI Key: InChIKey=PSGBSWDRJJWEDY-UHFFFAOYSA-N

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 = 50408151   
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
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E


(Homo sapiens (Human))
BDBM50408151
PNG
(CHEMBL299524)
Show SMILES Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)16-26-12-14-27(15-13-26)17-21-23-6-3-11-28(23)22-5-2-1-4-20(22)25-21/h1-11H,12-17H2
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.57E+3n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50408151
PNG
(CHEMBL299524)
Show SMILES Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)16-26-12-14-27(15-13-26)17-21-23-6-3-11-28(23)22-5-2-1-4-20(22)25-21/h1-11H,12-17H2
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+4n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50408151
PNG
(CHEMBL299524)
Show SMILES Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)16-26-12-14-27(15-13-26)17-21-23-6-3-11-28(23)22-5-2-1-4-20(22)25-21/h1-11H,12-17H2
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PC sid
UniChem
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n/an/a 1.07E+4n/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
5-hydroxytryptamine receptor 1D


(Sus scrofa)
BDBM50408151
PNG
(CHEMBL299524)
Show SMILES Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)16-26-12-14-27(15-13-26)17-21-23-6-3-11-28(23)22-5-2-1-4-20(22)25-21/h1-11H,12-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.51E+4n/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 1B


(Rattus norvegicus (Rat))
BDBM50408151
PNG
(CHEMBL299524)
Show SMILES Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)16-26-12-14-27(15-13-26)17-21-23-6-3-11-28(23)22-5-2-1-4-20(22)25-21/h1-11H,12-17H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/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 2A


(BOVINE)
BDBM50408151
PNG
(CHEMBL299524)
Show SMILES Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)16-26-12-14-27(15-13-26)17-21-23-6-3-11-28(23)22-5-2-1-4-20(22)25-21/h1-11H,12-17H2
PDB

Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+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