BDBM44152 (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)pent-4-enoic acid::(E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid::(E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidino-phenyl)pent-4-enoic acid::(E)-4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(1-pyrrolidinyl)phenyl]-4-pentenoic acid::MLS001002376::SMR000368894::cid_6536725

SMILES OC(=O)CC\C(=C/c1ccc(N2CCCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1

InChI Key InChIKey=GMOOWXWPYJPLOX-DTQAZKPQSA-N

Data  4 EC50

  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 4 hits for monomerid = 44152   

TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44152((E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrroli...)
Affinity DataEC50:  2.94E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlutathione S-transferase Mu 1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44152((E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrroli...)
Affinity DataEC50:  3.70E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44152((E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrroli...)
Affinity DataEC50:  2.33E+5nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44152((E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrroli...)
Affinity DataEC50:  2.90E+5nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay