BindingDB logo
myBDB logout

BDBM55058 2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone::2,6,7-trihydroxy-9-(2-nitrophenyl)-3H-xanthen-3-one::2,6,7-trihydroxy-9-(2-nitrophenyl)fluorone::2,6,7-trihydroxy-9-(2-nitrophenyl)xanthen-3-one::9-(2-nitrophenyl)-2,6,7-tris(oxidanyl)xanthen-3-one::MLS001197286::SMR000555396::cid_3728472

SMILES: Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O

InChI Key: InChIKey=ZULBKXYQNMBEJG-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 55058   
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
NS3


(Hepatitis C virus)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 990n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.12E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.66E+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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.64E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2GQ6W7C
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.41E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair