BindingDB logo
myBDB logout

BDBM35489 1-Acetyl-3-(3,4-dichloro-5-oxo-2,5-dihydro-furan-2-yl)-urea::MLS000035450::N-[(3,4-dichloro-5-keto-2H-furan-2-yl)carbamoyl]acetamide::N-[(3,4-dichloro-5-oxo-2H-furan-2-yl)carbamoyl]acetamide::N-[[(3,4-dichloro-5-oxo-2H-furan-2-yl)amino]-oxomethyl]acetamide::N-[[3,4-bis(chloranyl)-5-oxidanylidene-2H-furan-2-yl]carbamoyl]ethanamide::SMR000001295::cid_654815

SMILES: CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl

InChI Key: InChIKey=NYALSNBKNBTFOV-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 35489   
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
Cathepsin B


(Homo sapiens (Human))
BDBM35489
PNG
(1-Acetyl-3-(3,4-dichloro-5-oxo-2,5-dihydro-furan-2...)
Show SMILES CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl |c:12|
Show InChI InChI=1S/C7H6Cl2N2O4/c1-2(12)10-7(14)11-5-3(8)4(9)6(13)15-5/h5H,1H3,(H2,10,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.12E+3n/an/an/an/a6.823



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25T3HTJ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM35489
PNG
(1-Acetyl-3-(3,4-dichloro-5-oxo-2,5-dihydro-furan-2...)
Show SMILES CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl |c:12|
Show InChI InChI=1S/C7H6Cl2N2O4/c1-2(12)10-7(14)11-5-3(8)4(9)6(13)15-5/h5H,1H3,(H2,10,11,12,14)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM35489
PNG
(1-Acetyl-3-(3,4-dichloro-5-oxo-2,5-dihydro-furan-2...)
Show SMILES CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl |c:12|
Show InChI InChI=1S/C7H6Cl2N2O4/c1-2(12)10-7(14)11-5-3(8)4(9)6(13)15-5/h5H,1H3,(H2,10,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM35489
PNG
(1-Acetyl-3-(3,4-dichloro-5-oxo-2,5-dihydro-furan-2...)
Show SMILES CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl |c:12|
Show InChI InChI=1S/C7H6Cl2N2O4/c1-2(12)10-7(14)11-5-3(8)4(9)6(13)15-5/h5H,1H3,(H2,10,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.12E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C53J7N
More data for this
Ligand-Target Pair