BindingDB logo
myBDB logout

BDBM50403971 CHEMBL311231

SMILES: C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1

InChI Key: InChIKey=ONUZLDLDGNZGFE-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 = 50403971   
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))
BDBM50403971
PNG
(CHEMBL311231)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1
Show InChI InChI=1S/C21H25N3O/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)24-21(19)14-18(25-24)15-23-11-9-22-10-12-23/h1-8,18,21-22H,9-15H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50403971
PNG
(CHEMBL311231)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1
Show InChI InChI=1S/C21H25N3O/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)24-21(19)14-18(25-24)15-23-11-9-22-10-12-23/h1-8,18,21-22H,9-15H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50403971
PNG
(CHEMBL311231)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1
Show InChI InChI=1S/C21H25N3O/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)24-21(19)14-18(25-24)15-23-11-9-22-10-12-23/h1-8,18,21-22H,9-15H2
PDB

Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair