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BDBM84878 Fucosidase Inhibitor, 4

SMILES: CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O

InChI Key: InChIKey=NQPIYVRYYGVNCF-UHFFFAOYSA-N

Data: 4 Kd  4 ITC

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 84878   
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
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 46.6n/an/an/a6.037



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)


Article DOI: 10.1002/cbic.201000339
BindingDB Entry DOI: 10.7270/Q2N87898
More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 157n/an/an/a8.537



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)


Article DOI: 10.1002/cbic.201000339
BindingDB Entry DOI: 10.7270/Q2N87898
More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 63.3n/an/an/a7.037



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)


Article DOI: 10.1002/cbic.201000339
BindingDB Entry DOI: 10.7270/Q2N87898
More data for this
Ligand-Target Pair
Alpha-fucosidase


(Bacteroides thetaiotaomicron)
BDBM84878
PNG
(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 60n/an/an/a6.537



University of York



Assay Description
The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...


Chembiochem 11: 1971-4 (2010)


Article DOI: 10.1002/cbic.201000339
BindingDB Entry DOI: 10.7270/Q2N87898
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 84878
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Alpha-fucosidase

(Bacteroides thetaiotaomicron)
BDBM84878
JPEG
(Fucosidase Inhibitor, 4)
GoogleScholar
PC cid
PC sid
PDB
-10.00.742-3.82n/a6-236



University of York





Chembiochem 11: 1971-4 (2010)

Alpha-fucosidase

(Bacteroides thetaiotaomicron)
BDBM84878
JPEG
(Fucosidase Inhibitor, 4)
GoogleScholar
PC cid
PC sid
PDB
-10.00.424-6.45n/a6.5-236



University of York





Chembiochem 11: 1971-4 (2010)

Alpha-fucosidase

(Bacteroides thetaiotaomicron)
BDBM84878
JPEG
(Fucosidase Inhibitor, 4)
GoogleScholar
PC cid
PC sid
PDB
-9.790.00884-9.79n/a6.5-236



University of York





Chembiochem 11: 1971-4 (2010)

Alpha-fucosidase

(Bacteroides thetaiotaomicron)
BDBM84878
JPEG
(Fucosidase Inhibitor, 4)
GoogleScholar
PC cid
PC sid
PDB
-9.31-0.0884-8.60n/a6.5-236



University of York





Chembiochem 11: 1971-4 (2010)