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BDBM123754 1-methyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (13)

SMILES: Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12

InChI Key: InChIKey=HTNPEYORVSYSHK-UHFFFAOYSA-N

Data: 4 IC50

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 = 123754   
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
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM123754
PNG
(1-methyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18,19)
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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
Phospholipase D (PLD_SC)


(Streptomyces chromofuscus)
BDBM123754
PNG
(1-methyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18,19)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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 (PLD_sp)


(Streptomyces sp. PMF)
BDBM123754
PNG
(1-methyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM123754
PNG
(1-methyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/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