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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 = 'BDBM50004766'   
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))
BDBM50004766
PNG
(CHEMBL2312226)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004766
PNG
(CHEMBL2312226)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 56: 584-8 (2013)


Article DOI: 10.1021/jm301525w
BindingDB Entry DOI: 10.7270/Q2474CDQ
More data for this
Ligand-Target Pair