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BDBM46681 (4-chlorodithiazol-5-ylidene)-(2-methoxy-4-nitro-phenyl)amine::4-chloranyl-N-(2-methoxy-4-nitro-phenyl)-1,2,3-dithiazol-5-imine::4-chloro-N-(2-methoxy-4-nitrophenyl)-5-dithiazolimine::4-chloro-N-(2-methoxy-4-nitrophenyl)dithiazol-5-imine::MLS-0390825.0001::cid_2834973

SMILES: COc1cc(ccc1\N=c1\ssnc1Cl)[N+]([O-])=O

InChI Key: InChIKey=ATRSCOBWBQTDNF-PKNBQFBNSA-N

Data: 2 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 2 hits for monomerid = 46681   
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
MPI protein


(Homo sapiens (Human))
BDBM46681
PNG
((4-chlorodithiazol-5-ylidene)-(2-methoxy-4-nitro-p...)
Show SMILES COc1cc(ccc1\N=c1\ssnc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C9H6ClN3O3S2/c1-16-7-4-5(13(14)15)2-3-6(7)11-9-8(10)12-18-17-9/h2-4H,1H3/b11-9+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.25E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2J964TC
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM46681
PNG
((4-chlorodithiazol-5-ylidene)-(2-methoxy-4-nitro-p...)
Show SMILES COc1cc(ccc1\N=c1\ssnc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C9H6ClN3O3S2/c1-16-7-4-5(13(14)15)2-3-6(7)11-9-8(10)12-18-17-9/h2-4H,1H3/b11-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BWC
More data for this
Ligand-Target Pair