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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50089973'   
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))
BDBM50089973
PNG
(CHEMBL3581255)
Show SMILES [H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
Show InChI InChI=1S/C27H29NO4/c1-28-11-10-18-13-24(30-3)27(31-4)26-20-15-22(29-2)23(14-19(20)12-21(28)25(18)26)32-16-17-8-6-5-7-9-17/h5-9,13-15,21H,10-12,16H2,1-4H3/t21-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
92n/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