BDBM37752 MLS000086406::N-{3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl}-beta-alanine::SMR000021908::cid_3245701

SMILES CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23

InChI Key InChIKey=VBSAWBHQPLRZNO-UHFFFAOYSA-N

Data  2 KI  8 IC50  2 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 12 hits for monomerid = 37752   

TargetN-formyl peptide receptor 2(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataKi:  3.01E+4nMAssay Description:University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetfMet-Leu-Phe receptor(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataKi: >4.37E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  7.52E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  5.41E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
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TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataEC50: >5.00E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein LANA1(Human herpesvirus 8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataEC50:  1.16E+3nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  2.56E+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
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  6.25E+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
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  1.81E+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
In DepthDetails PCBioAssay
TargetN-formyl peptide receptor 2(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  4.99E+4nMAssay Description:University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetfMet-Leu-Phe receptor(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50: >6.67E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37752(MLS000086406 | N-{3-[4-(ethoxycarbonyl)piperazin-1...)
Affinity DataIC50:  1.00E+5nMAssay Description:A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay