BDBM51824 (2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]hexanoic acid methyl ester;hydrochloride::(2S)-6-amino-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-4-triazolyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-1-triazolyl]hexanoic acid methyl ester;hydrochloride::LU-MONO-WK-DP::MLS000560621::SMR000327515::cid_16129561::methyl (2S)-6-amino-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]hexanoate;hydrochloride::methyl (2S)-6-azanyl-2-[4-[3-[1-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]-5-piperazin-1-ylcarbonyl-phenyl]-1,2,3-triazol-1-yl]hexanoate;hydrochloride

SMILES COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1

InChI Key InChIKey=SBMACASMSSMKGH-CONSDPRKSA-N

Data  4 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 7 hits for monomerid = 51824   

LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataEC50:  4.44E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataEC50:  5.51E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataIC50:  5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataIC50:  3.73E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataIC50:  4.02E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51824((2S)-6-amino-2-[4-[3-[1-[(1S)-1-(1H-indol-3-ylmeth...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay