BDBM80030 2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea::MLS000777468::N''-[[(E)-(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid prop-2-enyl ester::SMR000413862::cid_16682681::prop-2-enyl N''-[[(E)-(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate::prop-2-enyl N''-[[(E)-(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

SMILES NC(SCC=C)=N[NH+]=C[c-]1cc(Br)cc([N+]([O-])=O)c1=O

InChI Key InChIKey=MBPRWVCYLIOXTP-UHFFFAOYSA-O

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 80030   

TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80030(2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-...)
Affinity DataIC50: >6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetGroup 3 secretory phospholipase A2(Homo sapiens)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80030(2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-...)
Affinity DataIC50:  4.06E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80030(2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-...)
Affinity DataIC50: >6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay