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Compile Data Set for Download or QSAR

Found 2 hits of ki data for polymerid = 50002836   
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
P-hydroxybenzoate hydroxylase


(Pseudomonas fluorescens)
BDBM50038194
PNG
(2-Benzyloxy-4-hydroxy-benzoic acid | CHEMBL130259)
Show SMILES OC(=O)c1ccc(O)cc1OCc1ccccc1
Show InChI InChI=1S/C14H12O4/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
59n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p-hydroxybenzoate hydroxylase (PHBH) from Pseudomonas fluorescence competing with p-hydroxy benzoic acid


J Med Chem 37: 4076-8 (1995)

More data for this
Ligand-Target Pair
P-hydroxybenzoate hydroxylase


(Pseudomonas fluorescens)
BDBM50038194
PNG
(2-Benzyloxy-4-hydroxy-benzoic acid | CHEMBL130259)
Show SMILES OC(=O)c1ccc(O)cc1OCc1ccccc1
Show InChI InChI=1S/C14H12O4/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
69n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p-hydroxybenzoate hydroxylase (PHBH) from Pseudomonas fluorescence competing with NADPH


J Med Chem 37: 4076-8 (1995)

More data for this
Ligand-Target Pair