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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor coactivator 1' and Ligand = 'BDBM59531'   
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))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.54E+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/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+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/Q28914F2
More data for this
Ligand-Target Pair