BindingDB logo
myBDB logout

null

SMILES: OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O

InChI Key: InChIKey=ATGSQJIRVOZMHS-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 60521   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM60521
PNG
((2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxy-4-...)
Show SMILES OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O |w:14.14,4.4|
Show InChI InChI=1S/C18H18N2O4/c21-9-8-14(10-13-4-2-1-3-5-13)18(24)20-19-12-15-6-7-16(22)11-17(15)23/h1-7,10-12,21-23H,8-9H2,(H,20,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.05E+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 3


(Homo sapiens (Human))
BDBM60521
PNG
((2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxy-4-...)
Show SMILES OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O |w:14.14,4.4|
Show InChI InChI=1S/C18H18N2O4/c21-9-8-14(10-13-4-2-1-3-5-13)18(24)20-19-12-15-6-7-16(22)11-17(15)23/h1-7,10-12,21-23H,8-9H2,(H,20,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.37E+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