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19 similar compounds to monomer 50011893

Compile data set for download or QSAR
Wt: 614.6
BDBM19
Purchase
Wt: 496.5
BDBM50011892
Wt: 538.6
BDBM50011901
Wt: 482.5
BDBM50011902
Wt: 536.6
BDBM50011904
Wt: 511.5
BDBM50011907
Wt: 524.5
BDBM50011910
Wt: 467.5
BDBM50011912
Wt: 552.6
BDBM50011915
Wt: 538.5
BDBM50011916
Wt: 497.5
BDBM50011919
Wt: 580.6
BDBM50011921
Wt: 538.6
BDBM50011924
Wt: 525.5
BDBM50011925
Wt: 477.5
BDBM50366389
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Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 19,50011892,50011901,50011902,50011904,50011907,50011910,50011912,50011915,50011916,50011919,50011921,50011924,50011925,50366389   
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)
BDBM19
PNG
((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
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
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Article
PubMed
500 -8.50n/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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM19
PNG
((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
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
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500 -8.59n/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
Phosphoinositide specific phospholipase C, PI-PLC


(RAT)
BDBM19
PNG
((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
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
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5.00E+3n/an/an/an/an/an/an/an/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
Phosphatidylcholine specific phospholipase C, PC-PLC


(RAT)
BDBM19
PNG
((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
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
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5.00E+3n/an/an/an/an/an/an/an/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
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011901
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CCN(CC)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C22H46N6O9/c1-3-28(4-2)7-11-14(29)12(26)17(32)22(35-11)37-20-9(25)5-8(24)19(18(20)33)36-21-13(27)16(31)15(30)10(6-23)34-21/h8-22,29-33H,3-7,23-27H2,1-2H3
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n/an/a 6.50E+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)
BDBM50011904
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,...)
Show SMILES NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4CCCC4)C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C22H44N6O9/c23-6-10-15(30)16(31)13(27)21(34-10)36-19-8(24)5-9(25)20(18(19)33)37-22-17(32)12(26)14(29)11(35-22)7-28-3-1-2-4-28/h8-22,29-33H,1-7,23-27H2
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n/an/a 8.10E+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
Bile salt export pump


(Homo sapiens (Human))
BDBM19
PNG
((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
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
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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)
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)
BDBM50011915
PNG
(CHEMBL287846 | N-{4-Amino-6-[4,6-diamino-3-(3-amin...)
Show SMILES CCC(=O)N(C)CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C22H44N6O10/c1-3-11(29)28(2)6-10-14(30)12(26)17(33)22(36-10)38-20-8(25)4-7(24)19(18(20)34)37-21-13(27)16(32)15(31)9(5-23)35-21/h7-10,12-22,30-34H,3-6,23-27H2,1-2H3
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n/an/a 1.16E+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)
BDBM50011916
PNG
(CHEMBL285021 | N-{4-Amino-6-[4,6-diamino-3-(3-amin...)
Show SMILES CN(CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O)C(C)=O
Show InChI InChI=1S/C21H42N6O10/c1-6(28)27(2)5-10-13(29)11(25)16(32)21(35-10)37-19-8(24)3-7(23)18(17(19)33)36-20-12(26)15(31)14(30)9(4-22)34-20/h7-21,29-33H,3-5,22-26H2,1-2H3
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n/an/a 1.34E+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)
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)
BDBM50011924
PNG
(5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-6-...)
Show SMILES CCCCNCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C22H46N6O9/c1-2-3-4-28-7-11-14(29)12(26)17(32)22(35-11)37-20-9(25)5-8(24)19(18(20)33)36-21-13(27)16(31)15(30)10(6-23)34-21/h8-22,28-33H,2-7,23-27H2,1H3
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n/an/a 9.90E+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)
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)
BDBM50011921
PNG
(CHEMBL34670 | N-{4-Amino-6-[4,6-diamino-3-(3-amino...)
Show SMILES CCCCN(CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O)C(C)=O
Show InChI InChI=1S/C24H48N6O10/c1-3-4-5-30(9(2)31)8-13-16(32)14(28)19(35)24(38-13)40-22-11(27)6-10(26)21(20(22)36)39-23-15(29)18(34)17(33)12(7-25)37-23/h10-24,32-36H,3-8,25-29H2,1-2H3
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n/an/a 1.09E+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
NH(3)-dependent NAD(+) synthetase


(Bacillus subtilis)
BDBM50366389
PNG
(GENTAMICIN)
Show SMILES CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1
Show InChI InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis NAD synthetase


J Med Chem 46: 3371-81 (2003)


Article DOI: 10.1021/jm030003x
BindingDB Entry DOI: 10.7270/Q25T3M6Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50366389
PNG
(GENTAMICIN)
Show SMILES CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1
Show InChI InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR after 2 mins


Bioorg Med Chem 18: 2849-63 (2010)


Article DOI: 10.1016/j.bmc.2010.03.019
BindingDB Entry DOI: 10.7270/Q2M61M6S
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50366389
PNG
(GENTAMICIN)
Show SMILES CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1
Show InChI InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine DHFR after 2 mins


Bioorg Med Chem 18: 2849-63 (2010)


Article DOI: 10.1016/j.bmc.2010.03.019
BindingDB Entry DOI: 10.7270/Q2M61M6S
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM19
PNG
((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
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
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n/an/an/a 180n/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(01)00149-4
BindingDB Entry DOI: 10.7270/Q2W66M9H
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
Phosphatidylcholine-retinol O-acyltransferase


(Homo sapiens (Human))
BDBM19
PNG
((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
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
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n/an/a 1.49E+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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM19
PNG
((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
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
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n/an/a 18n/an/an/an/an/an/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
PNG
((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
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
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n/an/an/a 5n/an/an/a7.50



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
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011910
PNG
(CHEMBL36133 | N-{4-Amino-6-[4,6-diamino-3-(3-amino...)
Show SMILES CN(CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O)C=O
Show InChI InChI=1S/C20H40N6O10/c1-26(5-27)4-9-12(28)10(24)15(31)20(34-9)36-18-7(23)2-6(22)17(16(18)32)35-19-11(25)14(30)13(29)8(3-21)33-19/h5-20,28-32H,2-4,21-25H2,1H3
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n/an/a 1.20E+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

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 19,50011892,50011901,50011902,50011904,50011907,50011910,50011912,50011915,50011916,50011919,50011921,50011924,50011925,50366389
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-8.5313.2-21.76.25725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-7.8511.7-19.45.76725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-6.836.58-13.45.01725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-6.224.77-11.04.56725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-5.523.59-9.034.17725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-4.820-4.823.53725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-6.6212.9-19.54.89725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-6.396.91-17.34.69725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)

RNA(23-mer)

(NULL)
BDBM19
JPEG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
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-5.965.68-11.74.37725



The Ohio State University





Nucleic Acids Res 28: 2935-42 (2000)