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BDBM50365590 CHEMBL1957818

SMILES: Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Cl)nc23)c(F)c1

InChI Key: InChIKey=NVXLFLRKJMMSPG-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50365590   
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))
BDBM50365590
PNG
(CHEMBL1957818)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Cl)nc23)c(F)c1
Show InChI InChI=1S/C20H19ClF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2A receptor


Bioorg Med Chem Lett 22: 1870-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50365590
PNG
(CHEMBL1957818)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3cc(Cl)nc23)c(F)c1
Show InChI InChI=1S/C20H19ClF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
391n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-DOI from recombinant human 5HT2C receptor


Bioorg Med Chem Lett 22: 1870-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.080
BindingDB Entry DOI: 10.7270/Q2XP75D0
More data for this
Ligand-Target Pair