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BDBM50412727 CHEMBL492689

SMILES: Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1

InChI Key: InChIKey=RJXYBXCQVVCCAR-CYBMUJFWSA-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 = 50412727   
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))
BDBM50412727
PNG
(CHEMBL492689)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r|
Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1
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KEGG

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.51n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


J Med Chem 51: 6085-94 (2008)


Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50412727
PNG
(CHEMBL492689)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r|
Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41.7n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor


J Med Chem 51: 6085-94 (2008)


Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50412727
PNG
(CHEMBL492689)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(C[C@H]2Cc3occc3C(=O)C2)CC1 |r|
Show InChI InChI=1S/C21H21FN2O3/c22-15-1-2-17-20(11-15)27-23-21(17)14-3-6-24(7-4-14)12-13-9-18(25)16-5-8-26-19(16)10-13/h1-2,5,8,11,13-14H,3-4,6-7,9-10,12H2/t13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
245n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor


J Med Chem 51: 6085-94 (2008)


Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72
More data for this
Ligand-Target Pair