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BDBM50001287 CHEMBL274066

SMILES: COc1cc2CCN(C(=O)Nc3cccc(c3)-c3c(C)ccnc3C)c2cc1C(F)(F)F

InChI Key: InChIKey=BWXWMZPAKOINJY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50001287   
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 2C


(Homo sapiens (Human))
BDBM50001287
PNG
(CHEMBL274066)
Show SMILES COc1cc2CCN(C(=O)Nc3cccc(c3)-c3c(C)ccnc3C)c2cc1C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-14-7-9-28-15(2)22(14)17-5-4-6-18(11-17)29-23(31)30-10-8-16-12-21(32-3)19(13-20(16)30)24(25,26)27/h4-7,9,11-13H,8,10H2,1-3H3,(H,29,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001287
PNG
(CHEMBL274066)
Show SMILES COc1cc2CCN(C(=O)Nc3cccc(c3)-c3c(C)ccnc3C)c2cc1C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-14-7-9-28-15(2)22(14)17-5-4-6-18(11-17)29-23(31)30-10-8-16-12-21(32-3)19(13-20(16)30)24(25,26)27/h4-7,9,11-13H,8,10H2,1-3H3,(H,29,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]5-HT as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001287
PNG
(CHEMBL274066)
Show SMILES COc1cc2CCN(C(=O)Nc3cccc(c3)-c3c(C)ccnc3C)c2cc1C(F)(F)F
Show InChI InChI=1S/C24H22F3N3O2/c1-14-7-9-28-15(2)22(14)17-5-4-6-18(11-17)29-23(31)30-10-8-16-12-21(32-3)19(13-20(16)30)24(25,26)27/h4-7,9,11-13H,8,10H2,1-3H3,(H,29,31)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
200n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]ketanserin as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair