BindingDB logo
myBDB logout

BDBM45037 (2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzothiophen-3-one::(2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one::(2Z)-2-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-1-benzothiophen-3-one::2-{[(2-hydroxy-5-nitrophenyl)amino]methylene}-1-benzothiophen-3(2H)-one::MLS000579149::SMR000186737::cid_5399788

SMILES: Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O

InChI Key: InChIKey=BKIHKUUQTVUWNF-LZYBPNLTSA-O

Data: 4 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 5 hits for monomerid = 45037   
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
Thrombin


(Bos taurus (Bovine))
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.97E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens)
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.22E+5n/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 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM45037
PNG
((2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzo...)
Show SMILES Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H9N2O4S/c18-12-6-5-9(17(20)21)7-11(12)16-8-14-15(19)10-3-1-2-4-13(10)22-14/h1-8,18H/q-1/p+1/b16-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 457n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair