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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor coactivator 3' and Ligand = 'BDBM63301'   
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 3


(Homo sapiens (Human))
BDBM63301
PNG
(1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(6-methyl-...)
Show SMILES Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H19N3O4/c1-13-9-10-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
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PC sid
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PCBioAssay
n/an/a 2.46E+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/Q2C24V0K
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM63301
PNG
(1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(6-methyl-...)
Show SMILES Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H19N3O4/c1-13-9-10-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+4n/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/Q2HT2MXV
More data for this
Ligand-Target Pair