BindingDB logo
myBDB logout

BDBM40233 3-(2-furanylmethyl)-1-phenacyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione::3-(2-furfuryl)-1-phenacyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-quinone::3-(furan-2-ylmethyl)-1-phenacyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione::3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione::MLS000559129::SMR000149445::cid_1846661

SMILES: O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)c1ccccc1

InChI Key: InChIKey=CMTAUNRFFDJZMI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 40233   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40233
PNG
(3-(2-furanylmethyl)-1-phenacyl-6,7,8,9-tetrahydro-...)
Show SMILES O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)c1ccccc1
Show InChI InChI=1S/C24H22N2O4S/c27-19(16-8-3-1-4-9-16)15-26-23-21(18-11-5-2-6-12-20(18)31-23)22(28)25(24(26)29)14-17-10-7-13-30-17/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair