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BDBM50036434 1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahydro-pyridine; hydrochloride::CHEMBL544418

SMILES: C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12

InChI Key: InChIKey=WPEMGBZDSSTCNO-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50036434   
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
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PubMed
22n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


Article DOI: 10.1021/jm00004a016
BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
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37n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


Article DOI: 10.1021/jm00004a016
BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
51n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


Article DOI: 10.1021/jm00004a016
BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
PDB

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Article
PubMed
110n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


Article DOI: 10.1021/jm00004a016
BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair