BDBM50335519 (S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-((S)-6-hydroxy-2-imino-hexahydro-pyrimidin-4-yl)-9,12-bis-hydroxymethyl-2,5,8,11,14-pentaoxo-6-[1-ureido-meth-(Z)-ylidene]-1,4,7,10,13pentaaza-cyclohexadec-15-yl}-amide::4-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole::CHEMBL262777::Chloroorienticin B derivative::Glycopeptide antibiotic::Mannopeptimycin Glycopeptide::Mannopeptimycin glycopeptide analogue::N-demethylvancomycin derivative::Poly ethylene glycol derivative::Tuberactinomycin Analogue::Vancocin::Vancoled::Vancor::Viomycin derivative::vancomycin::vanomycin

SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2

InChI Key InChIKey=MYPYJXKWCTUITO-UHFFFAOYSA-N

Data  6 KI  8 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50335519   

TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 2.34E+3nMAssay Description:Antibacterial activity against Enterococcus faecalis ATCC 51299 assessed as growth inhibition using fresh sample in DMSO by CLSI methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 1.00E+4nMAssay Description:Antibacterial activity against Enterococcus faecalis incubated for 16 to 24 hrs by broth microdilution based spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetAlbumin(Human)
Cnrs-Cpbs/Umr 5236

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to first site on human serum albumin by SPRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 2.60E+3nMAssay Description:Compound was evaluated for inhibition of peptidoglycan synthesis in Enterococcus faecalis using [14C]lysine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2018
Entry Details Article
PubMed
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50: 41.4nMAssay Description:Antibacterial activity against gram positive bacteria Enterococcus faecalis was determined by twofold Micro-broth dilution assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2018
Entry Details Article
PubMed
TargetTransporter(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKi:  16nMAssay Description:In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKi:  50nMAssay Description:Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKi:  50nMAssay Description:In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKi:  126nMAssay Description:In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKi:  1.00E+3nMAssay Description:In vitro binding affinity against alpha-1 adrenergic receptor of rat in presence of [3H]-prazosin radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetD-alanyl-D-alanine dipeptidase(Enterococcus faecium)
Theravance

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataKi:  6.20E+4nMAssay Description:Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed