BDBM5515 (5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrrolidin-2-one::2-Amino-6-[(R)-pyrrolidinon-5 -yl]methoxypurine::O6-Substituted Guanine Deriv. 56
SMILES: Nc1nc(OC[C@H]2CCC(=O)N2)c2[nH]cnc2n1
InChI Key: InChIKey=UYPMMHCTXQIWDX-RXMQYKEDSA-N
PDB links: 1 PDB ID matches 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)) | BDBM5515![]() ((5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrroli...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM5515![]() ((5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrroli...) | UniProtKB/SwissProt GoogleScholar | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424 | |||||||||||
More data for this Ligand-Target Pair |