BDBM50730 MLS000762993::SMR000438273::Sodium; 2-benzothiazol-2-yl-5-benzyl-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate::cid_23673720::sodium;2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-5-(phenylmethyl)pyrazolo[4,3-c]pyridin-6-olate::sodium;2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(phenylmethyl)-6-pyrazolo[4,3-c]pyridinolate::sodium;2-(1,3-benzothiazol-2-yl)-5-benzyl-3-keto-4-methyl-pyrazolo[4,3-c]pyridin-6-olate::sodium;2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate

SMILES Cc1n(Cc2ccccc2)c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c12

InChI Key InChIKey=HGYSMOSMQOQULD-UHFFFAOYSA-M

Data  4 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 4 hits for monomerid = 50730   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50730(MLS000762993 | SMR000438273 | Sodium; 2-benzothiaz...)
Affinity DataIC50:  4.32E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50730(MLS000762993 | SMR000438273 | Sodium; 2-benzothiaz...)
Affinity DataIC50:  6.58E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50730(MLS000762993 | SMR000438273 | Sodium; 2-benzothiaz...)
Affinity DataIC50:  1.01E+4nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50730(MLS000762993 | SMR000438273 | Sodium; 2-benzothiaz...)
Affinity DataIC50:  3.01E+3nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay