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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 = 'BDBM50010505'   
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


(Homo sapiens (Human))
BDBM50010505
PNG
(CHEMBL3264372)
Show SMILES Fc1cc(F)cc(c1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:9|
Show InChI InChI=1S/C22H20F2N4O/c23-17-11-16(12-18(24)13-17)15-5-8-28(9-6-15)10-7-25-22(29)21-14-26-19-3-1-2-4-20(19)27-21/h1-5,11-14H,6-10H2,(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis


ACS Med Chem Lett 5: 358-62 (2014)


Article DOI: 10.1021/ml4004843
BindingDB Entry DOI: 10.7270/Q2QZ2CHT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50010505
PNG
(CHEMBL3264372)
Show SMILES Fc1cc(F)cc(c1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:9|
Show InChI InChI=1S/C22H20F2N4O/c23-17-11-16(12-18(24)13-17)15-5-8-28(9-6-15)10-7-25-22(29)21-14-26-19-3-1-2-4-20(19)27-21/h1-5,11-14H,6-10H2,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Agonist activity at Wistar rat brain 5HT1A receptor assessed as inhibition of firing rate of dorsal raphe nucleus by electrophysiological analysis


ACS Med Chem Lett 5: 358-62 (2014)


Article DOI: 10.1021/ml4004843
BindingDB Entry DOI: 10.7270/Q2QZ2CHT
More data for this
Ligand-Target Pair