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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Beta-mannosidase'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-mannosidase


(Rattus norvegicus)
BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50234567
PNG
(1,4-dideoxy-1,4-imino-D-ribitol | CHEMBL261634 | I...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1
KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50279407
PNG
(2,5-Imino-2,5,7-trideoxy-D-glycero-D-manno-heptito...)
Show SMILES C[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO4/c1-3(10)5-7(12)6(11)4(2-9)8-5/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50279406
PNG
(2,5-Dideoxy-2,5-imino-glycero-D-manno-heptitol | C...)
Show SMILES OC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50242267
PNG
(2,5-imino-1,2,5-trideoxy-D-mannitol | CHEMBL443158)
Show SMILES C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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PubMed
n/an/a 9.30E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50242066
PNG
(CHEMBL511823 | alpha-1-C-(1,2-Dihdroxypropyl)-1,4-...)
Show SMILES CC(O)[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO5/c1-3(11)6(12)5-8(14)7(13)4(2-10)9-5/h3-14H,2H2,1H3/t3?,4-,5-,6-,7-,8-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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UniChem

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Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50279408
PNG
((2R,3S,4S,5S,6R)-2-((2R,3R,4R,5R)-4-hydroxy-2-(2-h...)
Show SMILES OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C13H25NO9/c15-2-1-5-12(8(18)6(3-16)14-5)23-13-11(21)10(20)9(19)7(4-17)22-13/h5-21H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-,13+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50278882
PNG
((2S,3S,4S,5S,6R)-2-((2R,3S,4S,5R,6R)-3,5-dihydroxy...)
Show SMILES OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
Show InChI InChI=1S/C19H35NO14/c21-2-1-6-16(10(25)7(3-22)20-6)33-19-15(30)17(12(27)9(5-24)32-19)34-18-14(29)13(28)11(26)8(4-23)31-18/h6-30H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18+,19+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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UniChem

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Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50031485
PNG
((2R,3R,4R)-2-Hydroxymethyl-pyrrolidine-3,4-diol | ...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1
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PubMed
n/an/a 2.90E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50234571
PNG
(2,5-imino-2,5,6-trideoxy-D-manno-heptitol | CHEMBL...)
Show SMILES OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO4/c9-2-1-4-6(11)7(12)5(3-10)8-4/h4-12H,1-3H2/t4-,5-,6-,7-/m1/s1
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 3.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50242065
PNG
(CHEMBL449851 | alpha-1-C-(2-Hydroxypropyl)-1,4-did...)
Show SMILES CC(O)C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-4(11)2-5-7(12)8(13)6(3-10)9-5/h4-13H,2-3H2,1H3/t4?,5-,6-,7-,8-/m1/s1
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 6.10E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50070029
PNG
((2Z)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-...)
Show SMILES OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H16N2O7/c16-6-8-9(17)10(18)11(19)12(21-8)15-22-13(20)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,20)
KEGG

UniProtKB/SwissProt

antibodypedia
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PubMed
25n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-mannosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36374
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/t12-,13-,14+,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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UniChem

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Article
PubMed
57 -43.0n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36375
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CNc3ccccc3)cn12
Show InChI InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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UniChem
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Article
PubMed
72 -42.4n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36376
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(COc3ccccc3)cn12
Show InChI InChI=1S/C15H18N2O5/c18-7-11-12(19)13(20)14(21)15-16-9(6-17(11)15)8-22-10-4-2-1-3-5-10/h1-6,11-14,18-21H,7-8H2/t11-,12-,13+,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
401 -38.0n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36384
PNG
((2R/S,3S,4R,5R)-5-(Hydroxymethyl)piperidine-2,3,4-...)
Show SMILES OC[C@H]1CNC(O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6?/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
975 -35.7n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36378
PNG
(1-[(2-Aminoethyl)amino]-1,5-anhydro-1-deoxy-1-imin...)
Show SMILES [NH3+]CCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17N3O4/c9-1-2-10-8-7(15)6(14)5(13)4(3-12)11-8/h4-7,12-15H,1-3,9H2,(H,10,11)/p+1/t4-,5-,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+3 -35.6n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36373
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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PC cid
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PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
1.40E+3 -34.8n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36381
PNG
(1-[(4-Aminobutyl)amino]-1,5-anhydro-1-deoxy-1-imin...)
Show SMILES CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C9H18N2O4/c1-2-3-10-9-8(15)7(14)6(13)5(4-12)11-9/h5-8,12-15H,2-4H2,1H3,(H,10,11)/t5-,6-,7+,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.90E+3 -34.0n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36379
PNG
(1-[(4-Aminobutyl)amino]-1,5-anhydro-1-deoxy-1-imin...)
Show SMILES [NH3+]CCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C10H21N3O4/c11-3-1-2-4-12-10-9(17)8(16)7(15)6(5-14)13-10/h6-9,14-17H,1-5,11H2,(H,12,13)/p+1/t6-,7-,8+,9+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.10E+3 -33.7n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36393
PNG
(1-[(3-Aminopropyl)amino]-1,5-anhydro-1-deoxy-1-imi...)
Show SMILES [NH3+]CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C9H19N3O4/c10-2-1-3-11-9-8(16)7(15)6(14)5(4-13)12-9/h5-8,13-16H,1-4,10H2,(H,11,12)/p+1/t5-,6-,7+,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.10E+3 -33.7n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36380
PNG
(1,5-Anhydro-1-deoxy-1-[(3-hydroxypropyl)amino]-1-i...)
Show SMILES OCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C9H18N2O5/c12-3-1-2-10-9-8(16)7(15)6(14)5(4-13)11-9/h5-8,12-16H,1-4H2,(H,10,11)/t5-,6-,7+,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.20E+3 -33.6n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36377
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(cn12)C#Cc1ccccc1
Show InChI InChI=1S/C16H16N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,9H2/t12-,13-,14+,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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2.40E+3 -33.4n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50285807
PNG
(CHEMBL2368787)
Show SMILES OC[C@@H]1N=C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11-,12-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against Beta-mannosidase in snail


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50070028
PNG
(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-...)
Show SMILES OCC1[O+]=C([N-]Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(O)C(O)C1O
Show InChI InChI=1S/C12H13N3O10/c16-4-8-9(17)10(18)11(19)12(24-8)13-25-7-2-1-5(14(20)21)3-6(7)15(22)23/h1-3,8-11,16-19H,4H2
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1.00E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-mannosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36385
PNG
((3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)piperidi...)
Show SMILES OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1
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1.10E+4 -29.4n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36392
PNG
((1R,4R,5R,7R,8R)-2-Benzyl-5-(hydroxymethyl)-2-azab...)
Show SMILES OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc1ccccc1
Show InChI InChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1
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1.30E+4 -29.0n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-mannosidase


(Homo sapiens)
BDBM50366566
PNG
(CHEMBL610071)
Show SMILES OCC(O)[C@H]1OC(=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2?,3-,4+,5+/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-mannosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36382
PNG
(CID24752823 | N,N-(4-aminobutyl)-D-glucoamidine, 3)
Show SMILES [NH3+]CCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H21N3O4/c11-3-1-2-4-12-10-9(17)8(16)7(15)6(5-14)13-10/h6-9,14-17H,1-5,11H2,(H,12,13)/p+1/t6-,7-,8+,9-/m1/s1
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2.20E+4 -27.7n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50285809
PNG
(CHEMBL2368788)
Show SMILES CO[C@H]1O[C@@H](CNC2=N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C13H24N2O9/c1-23-13-11(22)9(20)7(18)5(24-13)2-14-12-10(21)8(19)6(17)4(3-16)15-12/h4-11,13,16-22H,2-3H2,1H3,(H,14,15)/t4-,5-,6+,7+,8-,9-,10-,11+,13-/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against Beta-mannosidase in snail


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36383
PNG
((1R,4R,5R,7R,8R)-5-(Hydroxymethyl)-2-azabicyclo[2....)
Show SMILES OC[C@H]1C[C@H]2NC[C@]1(O)[C@H](O)[C@@H]2O
Show InChI InChI=1S/C8H15NO4/c10-2-4-1-5-6(11)7(12)8(4,13)3-9-5/h4-7,9-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1
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5.00E+5 -19.6n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Beta-mannosidase


(Homo sapiens)
BDBM50186736
PNG
(CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...)
Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50186733
PNG
(CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36386
PNG
((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nnnn12
Show InChI InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5+/m1/s1
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1.00E+6 -17.8n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50186735
PNG
(CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50186734
PNG
(CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of snail beta mannosidase at pH 4


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36390
PNG
((Z)-D-Gluconhydroximo-1,5-lactam, 15 | CID445248)
Show SMILES OC[C@H]1N=C(NO)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1
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2.00E+6 -16.0n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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6.00E+6 -13.2n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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9.00E+6 -12.1n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36389
PNG
(8-Aza-bicyclo[3.2.1]octane-1,2,3,4-tetraol, 14 | C...)
Show SMILES O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1
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1.10E+7 -11.6n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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1.40E+7 -11.0n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36387
PNG
((4R,5S,6R)-6-Hydroxymethyl-[1,2]oxazinane-4,5-diol...)
Show SMILES OC[C@H]1ONC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1
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2.00E+7 -10.1n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36388
PNG
(CID54445 | Octahydro-indolizine-1,6,7,8-tetraol, 1...)
Show SMILES O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12
Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
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2.30E+7 -9.73n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM50065259
PNG
((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
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3.30E+7 -8.80n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM36391
PNG
(5-Hydroxymethyl-7-isopropoxy-6-oxa-bicyclo[3.2.2]n...)
Show SMILES CCO[C@@H]1O[C@@]2(CO)CCC[C@]1(O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C11H20O6/c1-2-16-9-11(15)5-3-4-10(6-12,17-9)7(13)8(11)14/h7-9,12-15H,2-6H2,1H3/t7-,8-,9+,10+,11-/m0/s1
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>4.00E+8>-2.36n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair