BDBM19 (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol::KDR Kinase Inhibitor, 3::Neomycin::Neomycin B

SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChI Key InChIKey=PGBHMTALBVVCIT-VCIWKGPPSA-N

Data  5 KI  3 IC50  2 Kd  9 ITC

PDB links: 30 PDB IDs match this monomer.

  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 10 hits for monomerid = 19   

TargetLethal factor(Bacillus anthracis)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKi:  7nMAssay Description:Binding affinity to Bacillus anthracis lethal factor assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLethal factor(Bacillus anthracis)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKi:  500nM ΔG°:  -8.59kcal/moleT: 25°CAssay Description:The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLethal factor(Bacillus anthracis)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKi:  500nM ΔG°:  -8.50kcal/molepH: 7.4 T: 22°CAssay Description:The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLecithin retinol acyltransferase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataIC50:  1.49E+4nMAssay Description:Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProtein Rev(Human immunodeficiency virus type 1)
Purdue University

Curated by ChEMBL
LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKd:  180nMAssay Description:In vitro functional activity at Alpha-1D adrenergic receptor in rat aortaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLeucine--tRNA ligase(Thermus thermophilus)
Wayne State University

LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataKd:  5nMpH: 7.5 T: 0°CAssay Description:Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetVascular endothelial growth factor receptor 2(Human)
Shanghai Jiao Tong University

LigandPNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Affinity DataIC50:  18nMAssay Description:Inhibition assay using KDR.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 19   

CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -8.53kcal/mole −TΔS°: 13.2kcal/mole ΔH°: -21.7kcal/mole logk: 1.78E+6
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -7.85kcal/mole −TΔS°: 11.7kcal/mole ΔH°: -19.4kcal/mole logk: 5.74E+5
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -6.83kcal/mole −TΔS°: 6.58kcal/mole ΔH°: -13.4kcal/mole logk: 1.03E+5
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -6.22kcal/mole −TΔS°: 4.77kcal/mole ΔH°: -11.0kcal/mole logk: 3.63E+4
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -5.52kcal/mole −TΔS°: 3.59kcal/mole ΔH°: -9.03kcal/mole logk: 1.49E+4
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -4.82kcal/mole −TΔS°: 0kcal/mole ΔH°: -4.82kcal/mole logk: 3.36E+3
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -6.62kcal/mole −TΔS°: 12.9kcal/mole ΔH°: -19.5kcal/mole logk: 7.84E+4
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -6.39kcal/mole −TΔS°: 6.91kcal/mole ΔH°: -17.3kcal/mole logk: 4.90E+4
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar
CellRNA(23-mer)(NULL)
The Ohio State University

SyringePNGBDBM19((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
ITC DataΔG°: -5.96kcal/mole −TΔS°: 5.68kcal/mole ΔH°: -11.7kcal/mole logk: 2.36E+4
pH: 7.0 T: 25.00°C 
Cell InfoGoogleScholar