BindingDB logo
myBDB logout

BDBM50403977 CHEMBL85155

SMILES: CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21

InChI Key: InChIKey=LDUDMYAXGOQOGO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50403977   
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 2A


(Homo sapiens (human))
BDBM50403977
PNG
(CHEMBL85155)
Show SMILES CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21
Show InChI InChI=1S/C20H24N2O/c1-14-8-9-18-16(10-14)11-15-6-4-5-7-19(15)22-20(18)12-17(23-22)13-21(2)3/h4-10,17,20H,11-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells by [125I]R91150 displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50403977
PNG
(CHEMBL85155)
Show SMILES CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21
Show InChI InChI=1S/C20H24N2O/c1-14-8-9-18-16(10-14)11-15-6-4-5-7-19(15)22-20(18)12-17(23-22)13-21(2)3/h4-10,17,20H,11-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H1 receptor expressed in CHO cells by [3H]pyrilamine displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50403977
PNG
(CHEMBL85155)
Show SMILES CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21
Show InChI InChI=1S/C20H24N2O/c1-14-8-9-18-16(10-14)11-15-6-4-5-7-19(15)22-20(18)12-17(23-22)13-21(2)3/h4-10,17,20H,11-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells by [3H]mesulergine displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair