BDBM416558 US10307425, Example 24::US10632122, Example 24
SMILES: CC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
InChI Key: InChIKey=NYCAEKAKFOSFFT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG)) | BDBM416558![]() (US10307425, Example 24 | US10632122, Example 24) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington US Patent | Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ... | US Patent US10307425 (2019) BindingDB Entry DOI: 10.7270/Q2862JT9 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Calmodulin-domain protein kinase 1 (Toxoplasma gondii) | BDBM416558![]() (US10307425, Example 24 | US10632122, Example 24) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington US Patent | Assay Description Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was ... | US Patent US10632122 (2020) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken)) | BDBM416558![]() (US10307425, Example 24 | US10632122, Example 24) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | 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 chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assay | J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM416558![]() (US10307425, Example 24 | US10632122, Example 24) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | 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 ERG | J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin-domain protein kinase 1 (Toxoplasma gondii) | BDBM416558![]() (US10307425, Example 24 | US10632122, Example 24) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of wild type hemagglutinin-tagged Toxoplasma gondii RH CDPK1 assessed as parasite growth inhibition infected in human foreskin fibroblasts... | J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Calmodulin-domain protein kinase 1 (Toxoplasma gondii) | BDBM416558![]() (US10307425, Example 24 | US10632122, Example 24) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1 | 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 Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte... | J Med Chem 59: 6531-46 (2016) Article DOI: 10.1021/acs.jmedchem.6b00760 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |