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BDBM70233 3-bromanyl-5,7-dinitro-2-phenyl-1-benzofuran-4-ol::3-bromo-5,7-dinitro-2-phenyl-1-benzofuran-4-ol::3-bromo-5,7-dinitro-2-phenyl-4-benzofuranol::3-bromo-5,7-dinitro-2-phenyl-benzofuran-4-ol::MLS-0330965.0001::cid_2265220

SMILES: Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=HSRCLZZBSKZNHY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 70233   
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
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70233
PNG
(3-bromanyl-5,7-dinitro-2-phenyl-1-benzofuran-4-ol ...)
Show SMILES Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H7BrN2O6/c15-11-10-12(18)8(16(19)20)6-9(17(21)22)14(10)23-13(11)7-4-2-1-3-5-7/h1-6,18H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KD1WBN
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM70233
PNG
(3-bromanyl-5,7-dinitro-2-phenyl-1-benzofuran-4-ol ...)
Show SMILES Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H7BrN2O6/c15-11-10-12(18)8(16(19)20)6-9(17(21)22)14(10)23-13(11)7-4-2-1-3-5-7/h1-6,18H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.38E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2GQ6W7C
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM70233
PNG
(3-bromanyl-5,7-dinitro-2-phenyl-1-benzofuran-4-ol ...)
Show SMILES Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H7BrN2O6/c15-11-10-12(18)8(16(19)20)6-9(17(21)22)14(10)23-13(11)7-4-2-1-3-5-7/h1-6,18H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair