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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 = 'BDBM50090078'   
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))
BDBM50090078
PNG
(CHEMBL3581245)
Show SMILES [H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-6-7-10-29-20-13-16-11-18-22-15(8-9-25(18)2)12-21(27-4)24(28-5)23(22)17(16)14-19(20)26-3/h12-14,18H,6-11H2,1-5H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
153n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]-WAY100635 from human 5-HT1A receptor expresssed in stable CHO cell membrane incubated for 90 mins by microbeta counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115578
BindingDB Entry DOI: 10.7270/Q22B92KJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50090078
PNG
(CHEMBL3581245)
Show SMILES [H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C24H31NO4/c1-6-7-10-29-20-13-16-11-18-22-15(8-9-25(18)2)12-21(27-4)24(28-5)23(22)17(16)14-19(20)26-3/h12-14,18H,6-11H2,1-5H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
153n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay


J Nat Prod 78: 722-9 (2015)


Article DOI: 10.1021/np500893h
BindingDB Entry DOI: 10.7270/Q23B61WB
More data for this
Ligand-Target Pair