BDBM50148632 CHEMBL3770409::US9518026, Example 40::US9956214, Compound 1572
SMILES: CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O
InChI Key: InChIKey=IYNLAGHSNARNHP-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) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter... | ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+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 as substrate after 90 mins by luciferase reporter assay | ACS Med Chem Lett 6: 1184-1189 (2015) Article DOI: 10.1021/acsmedchemlett.5b00319 BindingDB Entry DOI: 10.7270/Q2NK3GXD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l... | Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of human ERG | Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. | 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... | Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 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 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 | |||||||||||||
Calmodulin-domain protein kinase (CDPK1) (Cryptosporidium parvum) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1 | 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 | |||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. | 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... | Bioorg Med Chem Lett 19: 1199-205 (2009) BindingDB Entry DOI: 10.7270/Q23J3G91 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50148632 (CHEMBL3770409 | US9518026, Example 40 | US9956214,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+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 as substrate after 90 mins by Kinase glo luciferase assay | Bioorg Med Chem Lett 26: 5487-5491 (2016) Article DOI: 10.1016/j.bmcl.2016.10.014 BindingDB Entry DOI: 10.7270/Q2J968BR | |||||||||||
More data for this Ligand-Target Pair |