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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase D' and Ligand = 'BDBM123746'   
Target/Host
(Institution)
LigandTarget/Host
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
Phospholipase D


(Streptomyces chromofuscus)
BDBM123746
PNG
(1-(4-methoxyphenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES COc1ccc(cc1)-n1nc(-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C18H15N5O/c1-24-14-9-7-13(8-10-14)23-18-15(17(19)20-11-21-18)16(22-23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a8.0n/a



Roxbury Community College



Assay Description
A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...


Chem Biol Drug Des 87: 714-29 (2016)


Article DOI: 10.1111/cbdd.12705
BindingDB Entry DOI: 10.7270/Q2R78D0V
More data for this
Ligand-Target Pair
Phospholipase D


(Streptomyces sp. PMF)
BDBM123746
PNG
(1-(4-methoxyphenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES COc1ccc(cc1)-n1nc(-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C18H15N5O/c1-24-14-9-7-13(8-10-14)23-18-15(17(19)20-11-21-18)16(22-23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 275n/an/an/an/an/a37



University of Massachusetts Boston



Assay Description
PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...


Chem Biol Drug Des 84: 270-81 (2014)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2HT2N05
More data for this
Ligand-Target Pair