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: 4 KI  3 IC50  2 Kd  9 ITC

PDB links: 28 PDB IDs match this monomer. 26 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 = 19   

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)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/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	500	-8.59	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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/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	500	-8.50	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
Phosphatidylcholine specific phospholipase C, PC-PLC (RAT)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair
Phosphoinositide specific phospholipase C, PI-PLC (RAT)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 REV (Human immunodeficiency virus 1)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/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	n/a	180	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description In vitro functional activity at Alpha-1D adrenergic receptor in rat aorta				Bioorg Med Chem Lett 11: 1127-31 (2001) BindingDB Entry DOI: 10.7270/Q2W66M9H
					More data for this Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase (Homo sapiens (Human))	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/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	1.49E+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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiaotong University					Assay Description Inhibition assay using KDR.				Chem Biol Drug Des 69: 204-11 (2007) Article DOI: 10.1111/j.1747-0285.2007.00488.x BindingDB Entry DOI: 10.7270/Q2ZG6QQH
					More data for this Ligand-Target Pair
Aminoacyl-tRNA synthetase (Thermus thermophilus)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...) Show 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 |r| Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	7.5	0
Wayne State University					Assay Description Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.				Chem Biol 9: 455-63 (2002) Article DOI: 10.1016/S1074-5521(02)00125-4 BindingDB Entry DOI: 10.7270/Q2R49P66
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 19

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-8.53	13.2	-21.7	6.25	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-7.85	11.7	-19.4	5.76	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.83	6.58	-13.4	5.01	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.22	4.77	-11.0	4.56	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.52	3.59	-9.03	4.17	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-4.82	0	-4.82	3.53	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.62	12.9	-19.5	4.89	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.39	6.91	-17.3	4.69	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)
RNA(23-mer) (NULL)	BDBM19 ((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)	GoogleScholar	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.96	5.68	-11.7	4.37	7	25
The Ohio State University					Nucleic Acids Res 28: 2935-42 (2000)