BDBM50383382 CHEMBL2030556::CHEMBL2069948::US10172858, Table 2.9::US10544104, Compound 26::US9765037, Compound 26::US9828378, # 9
SMILES: CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
InChI Key: InChIKey=XVLBYYUDKFJBBH-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human ABL by radiometric assay | J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human SRC by radiometric assay | J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PI3-kinase class I (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC US Patent | Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... | US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 9.10 | 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 | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 304 | 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 | |||||||||||||
Cytosolic arginine sensor for mTORC1 subunit 1 (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
Intellikine LLC US Patent | Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or... | US Patent US9828378 (2017) BindingDB Entry DOI: 10.7270/Q2542QWN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Intellikine LLC US Patent | Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or... | US Patent US9828378 (2017) BindingDB Entry DOI: 10.7270/Q2542QWN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-domain protein kinase 1 (Toxoplasma gondii) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 9.10 | 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)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 16.2 | 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)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1.24E+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 | |||||||||||||
Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC US Patent | Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... | US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+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 | |||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 16.2 | 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 |