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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'B-N-acetylhexosaminidase' AND taxid = 1922   
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
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50327038
PNG
((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
PDB
MMDB

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

Similars

AffyNet 
PDB
Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50377440
PNG
(CHEMBL253537)
Show SMILES CC(=O)N[C@@H]1NC[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50377445
PNG
(CHEMBL403756)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50377444
PNG
(CHEMBL404356)
Show SMILES CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@]2(C)S1
Show InChI InChI=1S/C9H15NO4S/c1-4-10-8-7(13)6(12)5(3-11)14-9(8,2)15-4/h5-8,11-13H,3H2,1-2H3/t5-,6-,7+,8-,9-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.00E+5n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50377441
PNG
(CHEMBL404651)
Show SMILES Cc1nc2[C@@H](O)[C@@H](O)[C@@H](CO)Oc2s1
Show InChI InChI=1S/C8H11NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4,6-7,10-12H,2H2,1H3/t4-,6+,7-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.60E+6n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50377443
PNG
(CHEMBL403748)
Show SMILES CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@]2(CN)S1
Show InChI InChI=1S/C9H16N2O4S/c1-4-11-8-7(14)6(13)5(2-12)15-9(8,3-10)16-4/h5-8,12-14H,2-3,10H2,1H3/t5-,6+,7+,8-,9-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>2.00E+6n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair
B-N-acetylhexosaminidase


(Streptomyces plicatus)
BDBM50377442
PNG
(CHEMBL255693)
Show SMILES CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@]2(CNC(=O)OC(C)(C)C)S1
Show InChI InChI=1S/C14H24N2O6S/c1-7-16-11-10(19)9(18)8(5-17)21-14(11,23-7)6-15-12(20)22-13(2,3)4/h8-11,17-19H,5-6H2,1-4H3,(H,15,20)/t8-,9+,10+,11-,14-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
>2.00E+6n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase


Citation and Details
More data for this
Ligand-Target Pair