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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 = 'BDBM95608'   
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))
BDBM95608
PNG
(2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanyl...)
Show SMILES CCOc1ccc(NC(=O)CSc2nccn(-c3ccc4OCCOc4c3)c2=O)cc1
Show InChI InChI=1S/C22H21N3O5S/c1-2-28-17-6-3-15(4-7-17)24-20(26)14-31-21-22(27)25(10-9-23-21)16-5-8-18-19(13-16)30-12-11-29-18/h3-10,13H,2,11-12,14H2,1H3,(H,24,26)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.49E+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