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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 = 'BDBM95497'   
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))
BDBM95497
PNG
(2-(3-Benzo[1,3]dioxol-5-ylmethyl-1-methyl-5-oxo-2-...)
Show SMILES CCCOc1ccc(NC(=O)CC2N(Cc3ccc4OCOc4c3)C(=S)N(C)C2=O)cc1
Show InChI InChI=1S/C23H25N3O5S/c1-3-10-29-17-7-5-16(6-8-17)24-21(27)12-18-22(28)25(2)23(32)26(18)13-15-4-9-19-20(11-15)31-14-30-19/h4-9,11,18H,3,10,12-14H2,1-2H3,(H,24,27)
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 1.67E+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