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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 = 'BDBM50420342'   
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))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair