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::US10544104, Compound 2::US9518026, Example 2::US9765037, Compound 2::US9956214, Compound 2
SMILES: CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
InChI Key: InChIKey=ILKDWZKZLIHMFM-UHFFFAOYSA-N
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 |
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Phospholipase D (PLD) (Homo sapiens (Human)) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/BCR/ABL (Homo sapiens (Human)) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | PDB Reactome pathway 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 | |||||||||||
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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 | |||||||||||
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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 | |||||||||||
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...) | 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...) | 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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...) | 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) | ||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | 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 | |||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | 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 US9956214 (2018) BindingDB Entry DOI: 10.7270/Q23J3G91 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | UniProtKB/TrEMBL 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 US9956214 (2018) BindingDB Entry DOI: 10.7270/Q23J3G91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-domain protein kinase 1 (Toxoplasma gondii) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | 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 CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Calmodulin-domain protein kinase 1, putative (Cryptosporidium parvum (strain Iowa II)) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | MMDB UniProtKB/TrEMBL B.MOAD 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 CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 CO 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 US10544104 (2020) BindingDB Entry DOI: 10.7270/Q2D79DSF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase D2 (PLD2) (Homo sapiens (Human)) | BDBM50345704![]() (1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 | |||||||||||
More data for this Ligand-Target Pair |