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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 = 'BDBM40305'   
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))
BDBM40305
PNG
(2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thi...)
Show SMILES CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
Show InChI InChI=1S/C21H22N4O3S/c1-3-5-10-28-18(26)13-29-21-17(12-23)19(16(11-22)20(24)25-21)14-6-8-15(9-7-14)27-4-2/h6-9H,3-5,10,13H2,1-2H3,(H2,24,25)
PDB
MMDB

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PCBioAssay
n/an/an/an/a 1.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair