BDBM50383381 CHEMBL2030554::CHEMBL2070050::US9765037, Compound 29
SMILES: CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
InChI Key: InChIKey=DLMBMHOJKBPKLK-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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Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | >1.50E+4 | 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)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | >2.00E+4 | 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 | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins | 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 | |||||||||||||
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human p38alpha using myelin basic protein as substrate after 180 mins | 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 | |||||||||||||
Ephrin type-A receptor 3 (EPHA3) (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human EPHA3 using myelin basic protein as substrate after 120 mins | 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 | |||||||||||||
Tyrosine-protein kinase HCK (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | >1.00E+4 | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human EGFR using poly glu-Tyr as substrate after 30 mins | 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 | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human ABL using EAIYAAPFAKKK-OH as substrate 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) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB UniProtKB/TrEMBL GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 3.80 | 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) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | UniProtKB/TrEMBL GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 3.5 | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | >2.00E+4 | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | >2.00E+4 | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | 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 4 (Plasmodium falciparum (isolate 3D7)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4 | 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 | |||||||||||||
Tyrosine-protein kinase CSK (Homo sapiens (Human)) | BDBM50383381![]() (CHEMBL2030554 | CHEMBL2070050 | US9765037, Compoun...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human CSK using Ac-KKKKEEIYFFF-OH as substrate after 180 mins | 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 |