BDBM50345705 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::1-isopropyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1231370::CHEMBL2069954::US10544104, Compound 3::US9765037, Compound 3
SMILES: CC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
InChI Key: InChIKey=QFGDRGRJMYSRIW-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 130 | 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)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.80E+3 | 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 | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 8.80E+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)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 7.90E+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 HCK (Homo sapiens (Human)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 1.38E+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) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 128 | 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) | ||||||||||||
Tyrosine-protein kinase HCK (Homo sapiens (Human)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 1.38E+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 | |||||||||||||
Calmodulin-domain protein kinase 1, putative (Cryptosporidium parvum (strain Iowa II)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 150 | 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-domain protein kinase 1 (Toxoplasma gondii) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 103 | 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 (Toxoplasma gondii) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 128 | 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)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 147 | 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)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 8.80E+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 | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 7.90E+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 | |||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50345705 (1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 147 | 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 |