BDBM50600 MLS001029919::N-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-cyclohexyl-acetamide::N-(3-chloro-1,4-diketo-2-naphthyl)-N-cyclohexyl-acetamide::N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-cyclohexylacetamide::N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-cyclohexylacetamide::N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-cyclohexyl-ethanamide::SMR000426871::cid_282594

SMILES CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O

InChI Key InChIKey=NVNGUFUOKYOUJL-UHFFFAOYSA-N

Data  1 KI  20 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 24 hits for monomerid = 50600   

TargetSphingosine kinase 1(Human)
Shandong First Medical University & Shandong Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataKi:  300nMAssay Description:Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataEC50:  1.39E+5nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetAmyloid-beta A4 precursor protein-binding family A member 1(Rat)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  745nMAssay 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
In DepthDetails PCBioAssay

TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  4.55E+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
In DepthDetails PCBioAssay

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetG-protein coupled receptor 35(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  5.55E+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
In DepthDetails PCBioAssay

TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  3.65E+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

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50: >1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50: >1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

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

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  7.15E+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
In DepthDetails PCBioAssay

TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  7.68E+3nMT: 25°CAssay 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
In DepthDetails PCBioAssay

TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  5.18E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50: >1.00E+5nMT: 25°CAssay 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
In DepthDetails PCBioAssay

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

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  1.02E+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
In DepthDetails PCBioAssay

TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  3.51E+3nMAssay 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
In DepthDetails PCBioAssay

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  5.30E+3nMAssay 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
In DepthDetails PCBioAssay

TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  4.61E+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
In DepthDetails PCBioAssay

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  3.12E+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
In DepthDetails PCBioAssay

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
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
In DepthDetails PCBioAssay

TargetTyrosyl-DNA phosphodiesterase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  1.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSphingosine kinase 1(Human)
Shandong First Medical University & Shandong Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of recombinant human SphK1 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSphingosine kinase 2(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human SphK2 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataEC50:  8.18E+3nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM50600(MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...)
Affinity DataIC50:  1.45E+4nMAssay 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