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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50039565'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039565
PNG
(CHEMBL314213 | [3-(2-Dimethylamino-ethyl)-1H-indol...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039565
PNG
(CHEMBL314213 | [3-(2-Dimethylamino-ethyl)-1H-indol...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair