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15 similar compounds to monomer 19

Compile data set for download or QSAR
Wt: 322.3
BDBM8580
Purchase
Wt: 1133.9
BDBM36250
Wt: 496.5
BDBM50011892
Wt: 510.5
BDBM50011893
Wt: 482.5
BDBM50011902
Wt: 511.5
BDBM50011907
Wt: 467.5
BDBM50011912
Wt: 497.5
BDBM50011919
Wt: 525.5
BDBM50011925
Wt: 513.5
BDBM50011926
Wt: 322.3
BDBM50124304
Wt: 467.5
BDBM50366778
Purchase
Wt: 614.6
BDBM50366388
Purchase
Wt: 483.5
BDBM50368267
Purchase
Wt: 484.4
BDBM50031282
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 8580,36250,50011892,50011893,50011902,50011907,50011912,50011919,50011925,50011926,50124304,50366778,50366388,50368267,50031282   
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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PubMed
4.29E+4 -5.95n/an/an/an/an/an/a25



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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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 (Human))
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 (Human))
BDBM50124304
PNG
(5-Amino-2-aminomethyl-6-(3,5-diamino-2,6-dihydroxy...)
Show SMILES NCC1OC(OC2C(O)C(N)CC(N)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-9(19)10(20)6(16)12(21-5)22-11-7(17)3(14)1-4(15)8(11)18/h3-12,17-20H,1-2,13-16H2
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n/an/a 1.52E+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 (Human))
BDBM50124304
PNG
(5-Amino-2-aminomethyl-6-(3,5-diamino-2,6-dihydroxy...)
Show SMILES NCC1OC(OC2C(O)C(N)CC(N)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C12H26N4O6/c13-2-5-9(19)10(20)6(16)12(21-5)22-11-7(17)3(14)1-4(15)8(11)18/h3-12,17-20H,1-2,13-16H2
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n/an/a 1.32E+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
Menin


(Homo sapiens (Human))
BDBM50366388
PNG
(NEOMYCIN | NEOMYCIN A)
Show SMILES NCC1O[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
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-/m0/s1
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n/an/an/a 1.56E+4n/an/an/an/an/a



Fuzhou University

Curated by ChEMBL


Assay Description
Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis


Bioorg Med Chem Lett 24: 2090-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.055
BindingDB Entry DOI: 10.7270/Q27M09G0
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50031282
PNG
(CHEBI:17630 | KANAMYCIN | Kanamycin)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



School of Life Science Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH


Bioorg Med Chem Lett (2014)


Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50366778
PNG
(47663 | Aktob | Nebcin | Nebicin | Nebramycin | Ne...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
Show InChI InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
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n/an/an/a 4.11E+3n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tetsed for the ability to bind the HIV-1 RRE-RNA construct by fluorescence anisotropy


Bioorg Med Chem Lett 11: 1127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00149-4
BindingDB Entry DOI: 10.7270/Q2W66M9H
More data for this
Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens (Human))
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 1.02E+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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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
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50031282
PNG
(CHEBI:17630 | KANAMYCIN | Kanamycin)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
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n/an/a>1.35E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011892
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES CNCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C19H40N6O9/c1-25-4-8-11(26)9(23)14(29)19(32-8)34-17-6(22)2-5(21)16(15(17)30)33-18-10(24)13(28)12(27)7(3-20)31-18/h5-19,25-30H,2-4,20-24H2,1H3
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n/an/a 1.29E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011893
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CN(C)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C20H42N6O9/c1-26(2)5-9-12(27)10(24)15(30)20(33-9)35-18-7(23)3-6(22)17(16(18)31)34-19-11(25)14(29)13(28)8(4-21)32-19/h6-20,27-31H,3-5,21-25H2,1-2H3
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n/an/a 9.60E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011902
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES NCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C18H38N6O9/c19-2-6-10(25)8(23)13(28)18(31-6)33-16-5(22)1-4(21)15(14(16)29)32-17-9(24)12(27)11(26)7(3-20)30-17/h4-18,25-29H,1-3,19-24H2
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n/an/a 8.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011907
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CCOCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C20H41N5O10/c1-2-31-5-9-12(26)10(24)15(29)20(33-9)35-18-7(23)3-6(22)17(16(18)30)34-19-11(25)14(28)13(27)8(4-21)32-19/h6-20,26-30H,2-5,21-25H2,1H3
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n/an/a 1.04E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011912
PNG
(4-amino-2-[4,6-diamino-3-(3-amino-6-aminomethyl-4,...)
Show SMILES CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C18H37N5O9/c1-4-10(24)8(22)13(27)18(29-4)32-16-6(21)2-5(20)15(14(16)28)31-17-9(23)12(26)11(25)7(3-19)30-17/h4-18,24-28H,2-3,19-23H2,1H3
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n/an/a 9.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011919
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES COCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C19H39N5O10/c1-30-4-8-11(25)9(23)14(28)19(32-8)34-17-6(22)2-5(21)16(15(17)29)33-18-10(24)13(27)12(26)7(3-20)31-18/h5-19,25-29H,2-4,20-24H2,1H3
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n/an/a 1.06E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011925
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES CC(C)OCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C21H43N5O10/c1-6(2)32-5-10-13(27)11(25)16(30)21(34-10)36-19-8(24)3-7(23)18(17(19)31)35-20-12(26)15(29)14(28)9(4-22)33-20/h6-21,27-31H,3-5,22-26H2,1-2H3
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n/an/a 9.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50368267
PNG
(KANAMYCIN B | Kanamycin | Kantrex | Klebcil)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts.


J Med Chem 34: 1483-92 (1991)


Article DOI: 10.1021/jm00108a037
BindingDB Entry DOI: 10.7270/Q2FX7B16
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011926
PNG
(4-amino-2-[2,4-diamino-5-(3-amino-6-aminomethyl-4,...)
Show SMILES NCC1OC(OC2C(N)CC(N)(CO)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C19H39N5O11/c20-2-6-11(28)12(29)9(23)17(32-6)34-15-5(21)1-19(24,4-26)16(14(15)31)35-18-13(30)8(22)10(27)7(3-25)33-18/h5-18,25-31H,1-4,20-24H2
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n/an/a 7.90E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts. p<0.05


J Med Chem 34: 1483-92 (1991)


Article DOI: 10.1021/jm00108a037
BindingDB Entry DOI: 10.7270/Q2FX7B16
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50368267
PNG
(KANAMYCIN B | Kanamycin | Kantrex | Klebcil)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH overexpressed in Escherichia coli DH10B cells assessed as incorporation of [3H] in the product after 25 mins by l...


Bioorg Med Chem Lett 24: 90-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.079
BindingDB Entry DOI: 10.7270/Q2154JHH
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50366388
PNG
(NEOMYCIN | NEOMYCIN A)
Show SMILES NCC1O[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
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-/m0/s1
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n/an/a 8.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1/2


(Rattus norvegicus)
BDBM50031282
PNG
(CHEBI:17630 | KANAMYCIN | Kanamycin)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens (Human))
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 1.97E+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
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens (Human))
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
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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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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 8580,36250,50011892,50011893,50011902,50011907,50011912,50011919,50011925,50011926,50124304,50366778,50366388,50368267,50031282
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36250
JPEG
BDBM50216627
JPEG
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PC sid
PDB
-3.300.847-4.132.38730.1



Universidade de Santiago de Compostela





J Phys Chem B 109: 9719-26 (2005)

BDBM36250
JPEG
BDBM36249
JPEG
PC cid
PC sid
PC cid
PC sid
-4.350.0435-4.423.14730.1



Universidade de Santiago de Compostela





J Phys Chem B 109: 9719-26 (2005)