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BDBM46636 2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-4,6-dinitro-1,2-benzothiazol-3-one::2-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dinitro-1,2-benzothiazol-3-one::MLS-0315788.0001::cid_4362535

SMILES: [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(OC(F)(F)Cl)cc1)c2=O

InChI Key: InChIKey=OOXINTWQVJGTRU-UHFFFAOYSA-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 = 46636   
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))
BDBM46636
PNG
(2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-4,6-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(OC(F)(F)Cl)cc1)c2=O
Show InChI InChI=1S/C14H6ClF2N3O6S/c15-14(16,17)26-9-3-1-7(2-4-9)18-13(21)12-10(20(24)25)5-8(19(22)23)6-11(12)27-18/h1-6H
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.14E+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
phosphatase, orphan 1


(Homo sapiens (Human))
BDBM46636
PNG
(2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-4,6-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(OC(F)(F)Cl)cc1)c2=O
Show InChI InChI=1S/C14H6ClF2N3O6S/c15-14(16,17)26-9-3-1-7(2-4-9)18-13(21)12-10(20(24)25)5-8(19(22)23)6-11(12)27-18/h1-6H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 233n/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/Q27S7M52
More data for this
Ligand-Target Pair