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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'nuclear receptor subfamily 5 group A member 2 isoform 2' and Ligand = 'BDBM95485'   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM95485
PNG
(3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethy...)
Show SMILES CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-28-16-7-9-17(10-8-16)29-12-11-25-21(26)20(24-22(25)27)13-15-14-23-19-6-4-3-5-18(15)19/h3-10,14,20,23H,2,11-13H2,1H3,(H,24,27)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair