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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor coactivator 1' and Ligand = 'BDBM62958'   
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 coactivator 1


(Homo sapiens (Human))
BDBM62958
PNG
(MLS000531259 | N'-(4-hydroxy-3-methoxybenzylid...)
Show SMILES COc1cc(C=NN=C(Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O |w:7.6,5.4|
Show InChI InChI=1S/C23H20N4O2S/c1-15-7-10-17(11-8-15)25-22(23-26-18-5-3-4-6-21(18)30-23)27-24-14-16-9-12-19(28)20(13-16)29-2/h3-14,28H,1-2H3,(H,25,27)
PDB
MMDB

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PC cid
PC sid
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n/an/a 8.17E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair