BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits of Enz. Inhib. data with enzyme = 'Beta-mannosidase' and Substrate = 'BDBM36394'   
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
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

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
57 -10.3n/an/an/an/an/a5.637



The Medical School, Newcastle University



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


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
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

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
72 -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.


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
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

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
401 -9.07n/an/an/an/an/a5.637



The Medical School, Newcastle University



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


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
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

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.40E+3 -8.30n/an/an/an/an/a5.637



The Medical School, Newcastle University



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


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3 -7.97n/an/an/an/an/a5.637



The Medical School, Newcastle University



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


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
More data for this
Ligand-Target Pair