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BDBM8580 (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol::Neamine

SMILES: NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=SYJXFKPQNSDJLI-HKEUSBCWSA-N

Data: 2 KI  6 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 8580   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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Article
PubMed
4.29E+4n/an/an/an/an/an/an/an/a



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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PubMed
4.29E+4 -5.89n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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n/an/a 3.86E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...


Bioorg Med Chem Lett 13: 901-3 (2003)


Article DOI: 10.1016/s0960-894x(02)01073-9
BindingDB Entry DOI: 10.7270/Q2ZC83DR
More data for this
Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...


Bioorg Med Chem Lett 13: 901-3 (2003)


Article DOI: 10.1016/s0960-894x(02)01073-9
BindingDB Entry DOI: 10.7270/Q2ZC83DR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against peptide binding to the RRE RNA was determined


Bioorg Med Chem Lett 11: 591-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00005-1
BindingDB Entry DOI: 10.7270/Q2G44QT9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 Tat protein


(Human immunodeficiency virus type 1 (isolate PCV12...)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Graduate School of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Tat peptide binding to HIV-1 TAR RNA


Bioorg Med Chem Lett 11: 591-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00005-1
BindingDB Entry DOI: 10.7270/Q2G44QT9
More data for this
Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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n/an/a 1.98E+5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...


Bioorg Med Chem Lett 13: 901-3 (2003)


Article DOI: 10.1016/s0960-894x(02)01073-9
BindingDB Entry DOI: 10.7270/Q2ZC83DR
More data for this
Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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Article
PubMed
n/an/a 1.97E+5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated ...


Bioorg Med Chem Lett 13: 901-3 (2003)


Article DOI: 10.1016/s0960-894x(02)01073-9
BindingDB Entry DOI: 10.7270/Q2ZC83DR
More data for this
Ligand-Target Pair