BindingDB PrimarySearch

BDBM50345704 1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3)::1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3)::1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1231371::CHEMBL2069957::US9518026, Example 2::US9765037, Compound 2

SMILES: CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12

InChI Key: InChIKey=ILKDWZKZLIHMFM-UHFFFAOYSA-N

Data: 15 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50345704
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	KEGG DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	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
University of Massachusetts Boston					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Phospholipase D (PLD_sp) (Streptomyces sp. PMF)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	375	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
University of Massachusetts Boston					More data for this Ligand-Target Pair
Phospholipase D (PLD_SC) (Streptomyces chromofuscus)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	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
Roxbury Community College					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Montclair State University Curated by ChEMBL					Assay Description Inhibition of CDPK4 in Plasmodium falciparum 3D7 microgametes				Bioorg Med Chem Lett 22: 6788-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.044 BindingDB Entry DOI: 10.7270/Q26H4JJZ
Montclair State University Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of SRC catlytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EIYGEFKKK-OH substrate after 30 mins by phosphorimag...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
University of Washington. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of ABL catlytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EAIYAAPFAKKK-OH substrate after 30 mins by phosphori...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
University of Washington. Curated by ChEMBL					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington. Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...				ACS Med Chem Lett 1: 331-335 (2011) Article DOI: 10.1021/ml100096t BindingDB Entry DOI: 10.7270/Q2JW8FV5
University of Washington. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method				J Med Chem 55: 2416-26 (2012) Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V
University of Washington Curated by ChEMBL					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calmodulin-domain protein kinase (CDPK1) (Cryptosporidium parvum)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center For Commercialization US Patent					Assay Description Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...				US Patent US9518026 (2016) BindingDB Entry DOI: 10.7270/Q2BV7JN4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Inhibition of human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Inhibition of human tyrosine kinases.				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Through its Center for Commercialization US Patent					Assay Description Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...				US Patent US9765037 (2017) BindingDB Entry DOI: 10.7270/Q2B56MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase D2 (PLD2) (Homo sapiens (Human))	BDBM50345704 (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	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
University of Massachusetts Boston					More data for this Ligand-Target Pair