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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50053661'   
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 1A


(Rattus norvegicus (rat))
BDBM50053661
PNG
(8-{4-[((R)-5-Fluoro-8-furan-2-yl-1,2,3,4-tetrahydr...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1
Show InChI InChI=1S/C30H39FN2O3/c1-2-15-32(16-5-6-17-33-28(34)20-30(21-29(33)35)13-3-4-14-30)22-9-10-23-25(19-22)24(11-12-26(23)31)27-8-7-18-36-27/h7-8,11-12,18,22H,2-6,9-10,13-17,19-21H2,1H3/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50053661
PNG
(8-{4-[((R)-5-Fluoro-8-furan-2-yl-1,2,3,4-tetrahydr...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1
Show InChI InChI=1S/C30H39FN2O3/c1-2-15-32(16-5-6-17-33-28(34)20-30(21-29(33)35)13-3-4-14-30)22-9-10-23-25(19-22)24(11-12-26(23)31)27-8-7-18-36-27/h7-8,11-12,18,22H,2-6,9-10,13-17,19-21H2,1H3/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4036-43 (1996)


Article DOI: 10.1021/jm960329o
BindingDB Entry DOI: 10.7270/Q2XK8G6C
More data for this
Ligand-Target Pair