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14 similar compounds to monomer 50357415

Compile data set for download or QSAR
Wt: 277.2
BDBM92366
Wt: 331.3
BDBM92362
Wt: 321.3
BDBM103985
Wt: 335.3
BDBM103986
Wt: 335.3
BDBM103987
Wt: 339.3
BDBM103989
Wt: 331.3
BDBM50308255
Wt: 322.3
BDBM50357399
Wt: 389.3
BDBM50357400
Wt: 355.7
BDBM50357413
Wt: 335.3
BDBM50357414
Wt: 305.3
BDBM50370996
Wt: 305.3
BDBM50370999
Wt: 305.3
BDBM50371002

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 92366,92362,103985,103986,103987,103989,50308255,50357399,50357400,50357413,50357414,50370996,50370999,50371002   
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
IAG-nucleoside hydrolase


(Trypanosoma vivax)
BDBM50370996
PNG
(CHEMBL230908)
Show SMILES OC[C@H]1O[C@@H](CCn2cc(nn2)-c2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H19N3O4/c19-9-13-15(21)14(20)12(22-13)6-7-18-8-11(16-17-18)10-4-2-1-3-5-10/h1-5,8,12-15,19-21H,6-7,9H2/t12-,13+,14-,15+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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GoogleScholar
CHEMBL
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PC sid
UniChem

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Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase


Bioorg Med Chem Lett 17: 2523-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.017
BindingDB Entry DOI: 10.7270/Q2HH6KVZ
More data for this
Ligand-Target Pair
IAG-nucleoside hydrolase


(Trypanosoma vivax)
BDBM50371002
PNG
(CHEMBL230061)
Show SMILES Cc1c(nnn1C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1
Show InChI InChI=1S/C15H19N3O4/c1-9-13(10-5-3-2-4-6-10)16-17-18(9)7-11-14(20)15(21)12(8-19)22-11/h2-6,11-12,14-15,19-21H,7-8H2,1H3/t11-,12+,14-,15+/m0/s1
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Article
PubMed
8.70E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase


Bioorg Med Chem Lett 17: 2523-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.017
BindingDB Entry DOI: 10.7270/Q2HH6KVZ
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92366
PNG
(GPESB14)
Show SMILES O[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@H](O)C1O
Show InChI InChI=1S/C13H15N3O4/c17-11-10(20-13(19)12(11)18)7-16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11+,12?,13-/m1/s1
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Article
PubMed
2.04E+5 -5.23 8.89E+4n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
BindingDB Entry DOI: 10.7270/Q2ST7NFC
More data for this
Ligand-Target Pair
IAG-nucleoside hydrolase


(Trypanosoma vivax)
BDBM50370999
PNG
(CHEMBL231025)
Show SMILES Cc1nnn(C[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1-c1ccccc1
Show InChI InChI=1S/C15H19N3O4/c1-9-13(10-5-3-2-4-6-10)18(17-16-9)7-11-14(20)15(21)12(8-19)22-11/h2-6,11-12,14-15,19-21H,7-8H2,1H3/t11-,12+,14-,15+/m0/s1
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PubMed
5.20E+5n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase


Bioorg Med Chem Lett 17: 2523-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.017
BindingDB Entry DOI: 10.7270/Q2HH6KVZ
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92362
PNG
(GPESB01)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]2OC(C)(C)OC12
Show InChI InChI=1S/C17H21N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h4-9,13-16H,10H2,1-3H3/t13-,14+,15?,16-/m1/s1
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Article
PubMed
7.80E+5 -4.41 3.61E+5n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
BindingDB Entry DOI: 10.7270/Q2ST7NFC
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357400
PNG
(CHEMBL1917484)
Show SMILES OC[C@H]1O[C@H](Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H18F3N3O5/c17-16(18,19)9-3-1-8(2-4-9)10-5-22(21-20-10)6-11-13(24)15(26)14(25)12(7-23)27-11/h1-5,11-15,23-26H,6-7H2/t11-,12-,13-,14-,15-/m1/s1
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Article
PubMed
n/an/a 194n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357413
PNG
(CHEMBL1917483)
Show SMILES OC[C@H]1O[C@H](Cn2cc(nn2)-c2cccc(Cl)c2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H18ClN3O5/c16-9-3-1-2-8(4-9)10-5-19(18-17-10)6-11-13(21)15(23)14(22)12(7-20)24-11/h1-5,11-15,20-23H,6-7H2/t11-,12-,13-,14-,15-/m1/s1
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Article
PubMed
n/an/a 639n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357414
PNG
(CHEMBL1917482)
Show SMILES Cc1ccc(cc1)-c1cn(C[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C16H21N3O5/c1-9-2-4-10(5-3-9)11-6-19(18-17-11)7-12-14(21)16(23)15(22)13(8-20)24-12/h2-6,12-16,20-23H,7-8H2,1H3/t12-,13-,14-,15-,16-/m1/s1
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PubMed
n/an/a 565n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308255
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-phenyl-1H-1,2...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C17H21N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h4-9,13-16H,10H2,1-3H3/t13-,14-,15-,16-/m1/s1
Reactome pathway
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Article
PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
LecB


(Pseudomonas aeruginosa)
BDBM103989
PNG
(LecB Inhibitor Triazoles 2g)
Show SMILES COC1O[C@H](Cn2cc(nn2)-c2ccc(F)cc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C15H18FN3O5/c1-23-15-14(22)13(21)12(20)11(24-15)7-19-6-10(17-18-19)8-2-4-9(16)5-3-8/h2-6,11-15,20-22H,7H2,1H3/t11-,12-,13?,14+,15?/m1/s1
PDB
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KEGG

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



University of Konstanz





ACS Chem Biol 8: 1775-84 (2013)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q21J98C3
More data for this
Ligand-Target Pair
LecB


(Pseudomonas aeruginosa)
BDBM103987
PNG
(LecB Inhibitor Triazoles 2e)
Show SMILES COC1O[C@H](Cn2cc(nn2)-c2ccc(C)cc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C16H21N3O5/c1-9-3-5-10(6-4-9)11-7-19(18-17-11)8-12-13(20)14(21)15(22)16(23-2)24-12/h3-7,12-16,20-22H,8H2,1-2H3/t12-,13-,14?,15+,16?/m1/s1
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Article
PubMed
n/an/a 2.94E+5n/an/an/an/an/an/a



University of Konstanz





ACS Chem Biol 8: 1775-84 (2013)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q21J98C3
More data for this
Ligand-Target Pair
LecB


(Pseudomonas aeruginosa)
BDBM103986
PNG
(LecB Inhibitor Triazoles 2d)
Show SMILES COC1O[C@H](Cn2cc(nn2)-c2cccc(C)c2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C16H21N3O5/c1-9-4-3-5-10(6-9)11-7-19(18-17-11)8-12-13(20)14(21)15(22)16(23-2)24-12/h3-7,12-16,20-22H,8H2,1-2H3/t12-,13-,14?,15+,16?/m1/s1
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PubMed
n/an/a 2.79E+5n/an/an/an/an/an/a



University of Konstanz





ACS Chem Biol 8: 1775-84 (2013)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q21J98C3
More data for this
Ligand-Target Pair
LecB


(Pseudomonas aeruginosa)
BDBM103985
PNG
(LecB Inhibitor Triazoles 2c)
Show SMILES COC1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H](O)C(O)[C@@H]1O
Show InChI InChI=1S/C15H19N3O5/c1-22-15-14(21)13(20)12(19)11(23-15)8-18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12-,13?,14+,15?/m1/s1
PDB
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Article
PubMed
n/an/a 3.73E+5n/an/an/an/an/an/a



University of Konstanz





ACS Chem Biol 8: 1775-84 (2013)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q21J98C3
More data for this
Ligand-Target Pair
Adhesin protein fimH


(Escherichia coli (strain K12))
BDBM50357399
PNG
(CHEMBL1917485)
Show SMILES OC[C@H]1O[C@H](Cn2cc(nn2)-c2cccnc2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C14H18N4O5/c19-7-11-13(21)14(22)12(20)10(23-11)6-18-5-9(16-17-18)8-2-1-3-15-4-8/h1-5,10-14,19-22H,6-7H2/t10-,11-,12-,13-,14-/m1/s1
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PubMed
n/an/a 333n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...


Bioorg Med Chem 19: 6454-73 (2011)


Article DOI: 10.1016/j.bmc.2011.08.057
BindingDB Entry DOI: 10.7270/Q2416XGX
More data for this
Ligand-Target Pair