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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50409502'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50409502
PNG
(CHEMBL325253)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2Cc3sccc3C(=O)C2)CC1
Show InChI InChI=1S/C23H27FN2O2S/c24-19-5-3-18(4-6-19)21(27)2-1-8-25-9-11-26(12-10-25)16-17-14-22(28)20-7-13-29-23(20)15-17/h3-7,13,17H,1-2,8-12,14-16H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
107n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Kinetic inhibition constant evaluated by measuring serotonergic activity


J Med Chem 43: 3233-43 (2000)


Article DOI: 10.1021/jm000941m
BindingDB Entry DOI: 10.7270/Q2QJ7M2N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50409502
PNG
(CHEMBL325253)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2Cc3sccc3C(=O)C2)CC1
Show InChI InChI=1S/C23H27FN2O2S/c24-19-5-3-18(4-6-19)21(27)2-1-8-25-9-11-26(12-10-25)16-17-14-22(28)20-7-13-29-23(20)15-17/h3-7,13,17H,1-2,8-12,14-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
107n/an/an/an/an/an/an/an/a



Universidad de Santiago

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.


J Med Chem 42: 2774-97 (1999)


Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8
More data for this
Ligand-Target Pair