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  7 IC50

PDB links: 7 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 8 PDB IDs contain inhibitors having a similarity of 90% to 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 9 hits for monomerid = 8580   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM8580 ((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 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.29E+4	-5.89	n/a	n/a	n/a	n/a	n/a	7.4	22
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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM8580 ((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 |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.29E+4	-5.95	n/a	n/a	n/a	n/a	n/a	n/a	25
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
Human immunodeficiency virus type 1 REV (Human immunodeficiency virus 1)	BDBM8580 ((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 |r| 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	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximit...				Bioorg Med Chem Lett 29: 339-341 (2019) Article DOI: 10.1016/j.bmcl.2018.11.004
					More data for this Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase (Homo sapiens (Human))	BDBM8580 ((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 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 REV (Human immunodeficiency virus 1)	BDBM8580 ((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 |r| 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	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) 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 ((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 |r| 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	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2G44QT9
					More data for this Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase (Homo sapiens (Human))	BDBM8580 ((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 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase (Homo sapiens (Human))	BDBM8580 ((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 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase (Homo sapiens (Human))	BDBM8580 ((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 |r| 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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2ZC83DR
					More data for this Ligand-Target Pair