BDBM5564 6-(cyclohexylmethoxy)-9H-purine::NU2017::O6-cyclohexylmethylpurine
SMILES: C(Oc1ncnc2nc[nH]c12)C1CCCCC1
InChI Key: InChIKey=ZJSUFVUNHNCHCI-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 11 PDB IDs contain this monomer as substructures. 11 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 2 (CDK2) (Homo sapiens (Human)) | BDBM5564 (6-(cyclohexylmethoxy)-9H-purine | NU2017 | O6-cycl...) | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Newcastle | Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ... | J Med Chem 43: 2797-804 (2000) Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM5564 (6-(cyclohexylmethoxy)-9H-purine | NU2017 | O6-cycl...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Newcastle | Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ... | J Med Chem 43: 2797-804 (2000) Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP | |||||||||||
More data for this Ligand-Target Pair |