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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Urease' AND taxid = 585   
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
Urease


(Helicobacter pylori ATCC43504)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
KEGG

UniProtKB/TrEMBL

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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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Article
PubMed
n/an/a 4.25E+4n/an/an/an/an/an/a



Wuhan Textile University



Assay Description
Briefly, 50 mL broth cultures (2.0 × 10^8 CFU/mL) were centrifuged (5000g, 4°C)to collect the bacteria, and after washing twice with phosph...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Helicobacter pylori ATCC43504)
BDBM236555
PNG
(5-Methylpyrazine-2-carboxylic acid)
Show SMILES Cc1cnc(cn1)C(O)=O
Show InChI InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan Textile University



Assay Description
Briefly, 50 mL broth cultures (2.0 × 10^8 CFU/mL) were centrifuged (5000g, 4°C)to collect the bacteria, and after washing twice with phosph...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Helicobacter pylori ATCC43504)
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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



Wuhan Textile University



Assay Description
Briefly, 50 mL broth cultures (2.0 × 10^8 CFU/mL) were centrifuged (5000g, 4°C)to collect the bacteria, and after washing twice with phosph...


Citation and Details
More data for this
Ligand-Target Pair
Urease


(Helicobacter pylori ATCC43504)
BDBM197303
PNG
(4-Methylbenzoic acid | SAMPL4, O2)
Show SMILES Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wuhan Textile University



Assay Description
Briefly, 50 mL broth cultures (2.0 × 10^8 CFU/mL) were centrifuged (5000g, 4°C)to collect the bacteria, and after washing twice with phosph...


Citation and Details
More data for this
Ligand-Target Pair