BindingDB logo
myBDB logout

BDBM50101814 DIBENZEPIN::Dibenzepin

SMILES: CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O

InChI Key: InChIKey=QPGGEKPRGVJKQB-UHFFFAOYSA-N

Data: 7 KI  1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50101814   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

7.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

1.09E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

1.23E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT7 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

3.02E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50101814
PNG
(DIBENZEPIN | Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.64E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)


Article DOI: 10.1002/jat.2784
BindingDB Entry DOI: 10.7270/Q2D79D5C
More data for this
Ligand-Target Pair