BDBM5478 6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine::CHEMBL407877::O6-Substituted Guanine Deriv. 18
SMILES: CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
InChI Key: InChIKey=GVEXNMKDLGGAPR-UHFFFAOYSA-N
Data: 4 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 |
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Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM5478 (6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+4 | 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 | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM5478 (6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich Curated by ChEMBL | Assay Description Inhibition of CDK1/Cyclin B | J Med Chem 51: 1179-88 (2008) Article DOI: 10.1021/jm070654j BindingDB Entry DOI: 10.7270/Q29Z95RD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6-O-methylguanine-DNA methyltransferase (Homo sapiens (Human)) | BDBM5478 (6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University Curated by ChEMBL | Assay Description concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract. | J Med Chem 43: 4071-83 (2000) BindingDB Entry DOI: 10.7270/Q2RF5T8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM5478 (6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+4 | 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 (docked) |