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BDBM50403963 CHEMBL83220

SMILES: CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F

InChI Key: InChIKey=DQAMCNMFLLPWQR-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 = 50403963   
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))
BDBM50403963
PNG
(CHEMBL83220)
Show SMILES CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O2/c1-24(19(26)20(21,22)23)12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)25(18)27-15/h2-9,15,18H,10-12H2,1H3
PDB
MMDB

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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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50403963
PNG
(CHEMBL83220)
Show SMILES CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O2/c1-24(19(26)20(21,22)23)12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)25(18)27-15/h2-9,15,18H,10-12H2,1H3
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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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50403963
PNG
(CHEMBL83220)
Show SMILES CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O2/c1-24(19(26)20(21,22)23)12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)25(18)27-15/h2-9,15,18H,10-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 692n/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