BDBM5670 2-amino-5-thio-substituted thiazole 47::N-(5-{[(5-ethyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-(pyridin-3-yl)acetamide::N-[5-[[(5-Ethyl-2-oxazolyl)methyl]thio]-2-thiazolyl]-3-pyridineacetamide
SMILES: CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
InChI Key: InChIKey=NDUNPMAPBHPTHE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... | J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... | J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 4 (Homo sapiens (Human)) | BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK4 (unknown origin) | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK1 (unknown origin) | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... | J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3 | |||||||||||
More data for this Ligand-Target Pair |