BDBM31587 oxadiazole derivative, 20x
SMILES: COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
InChI Key: InChIKey=XUEHEOHRTKKVET-UHFFFAOYSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM31587 (oxadiazole derivative, 20x) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Takeda Pharmaceutical Company Ltd. | Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96... | Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM31587 (oxadiazole derivative, 20x) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | 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 |
Takeda Pharmaceutical Company Ltd. | Assay Description Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the... | Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C theta type (Homo sapiens (Human)) | BDBM31587 (oxadiazole derivative, 20x) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd. | Assay Description Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the... | Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM31587 (oxadiazole derivative, 20x) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd. | Assay Description Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the... | Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase 1 (Homo sapiens (Human)) | BDBM31587 (oxadiazole derivative, 20x) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd. | Assay Description Assays for serine/threonine kinases using radiolabeled [gamma-33P] ATP (GE Healthcare, Piscataway, NJ) were performed in 96 well plates. Prior to the... | Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM31587 (oxadiazole derivative, 20x) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | 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 | 25 |
Takeda Pharmaceutical Company Ltd. | Assay Description Human p35/ cyclin dependent kinase 5 (CDK5) was purchased from Millipore Corp. (Bedford, MA), which was expressed as N-terminal GST fusion protein us... | Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ | |||||||||||
More data for this Ligand-Target Pair |