BindingDB logo
myBDB logout

BDBM66154 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one::3-(1-benzofuran-2-ylcarbonyl)-1-[2-(diethylamino)ethyl]-4-oxidanyl-2-pyridin-3-yl-2H-pyrrol-5-one::3-[2-benzofuranyl(oxo)methyl]-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-pyridinyl)-2H-pyrrol-5-one::4-(benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-pyridyl)-3-pyrrolin-2-one::MLS000037205::SMR000041788::cid_661079

SMILES: CCN(CC)CCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccnc1

InChI Key: InChIKey=GITIGBIVOOIKDH-UHFFFAOYSA-N

Data: 2 IC50

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 = 66154   
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 corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM66154
PNG
(3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)eth...)
Show SMILES CCN(CC)CCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccnc1
Show InChI InChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,20-21H,3-4,12-13H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.95E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM66154
PNG
(3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)eth...)
Show SMILES CCN(CC)CCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccnc1
Show InChI InChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,20-21H,3-4,12-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair