BDBM123756 1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (15)

SMILES: Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12

InChI Key: InChIKey=UOKGZPYGRJDACN-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 123756   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM123756 (1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)	PDB KEGG DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	37
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)	BDBM123756 (1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)	GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/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)	BDBM123756 (1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM123756 (1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	37
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