BDBM50446179 CHEMBL3109011::US9518026, Example 39::US9956214, Compound 1517
SMILES: CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
InChI Key: InChIKey=XZLFLNWUBLMFQW-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) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2 | 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 using PLARTLSVAGLPGKK-OH as substrate | ACS Med Chem Lett 5: 40-44 (2014) Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2 | 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 | 3D Structure (crystal) | ||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+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 | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB 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 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 | |||||||||||||
CGMP-dependent protein kinase (Plasmodium falciparum) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of recombinant Plasmodium falciparum PKG assessed as decrease in depletion of ATP 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 | |||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 1 | 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 (CDPK1) (Cryptosporidium parvum) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB 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) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 2 | 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 | 3D Structure (crystal) | ||||||||||||
Calcium-dependent protein kinase 1 (CDPK1) (Cryptosporidium parvum) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 1 | 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) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 2 | 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 | 3D Structure (crystal) | ||||||||||||
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50446179 (CHEMBL3109011 | US9518026, Example 39 | US9956214,...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB 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 | 3D Structure (crystal) |