BDBM50974 1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]urea::1-(1-adamantyl)-3-[[(E)-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]urea::1-(1-adamantyl)-3-[[(E)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea::1-(1-adamantyl)-3-[[(E)-(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]urea::5-chloro-2-hydroxy-3-nitrobenzaldehyde N-1-adamantylsemicarbazone::MLS000571915::SMR000193933::cid_5903423

SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O

InChI Key InChIKey=JZLQNWIKHMQHJN-UHFFFAOYSA-O

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50974   

TargetGlycoprotein 42(Human herpesvirus 4 type 2)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50974(1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...)
Affinity DataIC50:  5.40E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...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
LigandPNGBDBM50974(1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...)
Affinity DataIC50:  9.15E+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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50974(1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...)
Affinity DataEC50:  6.87E+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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50974(1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...)
Affinity DataEC50: >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