BDBM71373 2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene-1,4-dione::2-chloro-3-(3-pyridinylmethylamino)naphthalene-1,4-dione::2-chloro-3-(3-pyridylmethylamino)-1,4-naphthoquinone::2-chloro-3-(pyridin-3-ylmethylamino)naphthalene-1,4-dione::2-chloro-3-[(3-pyridinylmethyl)amino]naphthoquinone::MLS001195521::SMR000550701::cid_3780874

SMILES Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12

InChI Key InChIKey=HIBBYVXUBKIHEI-UHFFFAOYSA-N

Data  3 IC50  3 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 6 hits for monomerid = 71373   

TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71373(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Affinity DataEC50:  9.25E+3nMAssay 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
TargetHexokinase-1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71373(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Affinity DataEC50:  3.08E+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
TargetMitochondrial peptide methionine sulfoxide reductase(Bos taurus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71373(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Affinity DataEC50: >1.04E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71373(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Affinity DataIC50:  1.01E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71373(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71373(2-chloranyl-3-(pyridin-3-ylmethylamino)naphthalene...)
Affinity DataIC50:  8.43E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay