BDBM50113694 3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propane-1,2-diol::CHEMBL312530
SMILES: COc1ccc(CNc2nc(NCC(O)CO)nc3n(cnc23)C(C)C)cc1
InChI Key: InChIKey=GLRWRTCANDHISI-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human)) | BDBM50113694 (3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E | Bioorg Med Chem Lett 7: 2697-2702 (1997) Article DOI: 10.1016/S0960-894X(97)10076-2 BindingDB Entry DOI: 10.7270/Q2FJ2H8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50113694 (3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1) | J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB | |||||||||||
More data for this Ligand-Target Pair |