BDBM10641 6-(benzylamino)-9-isopropylpurine::CHEMBL85015::N-benzyl-9-(propan-2-yl)-9H-purin-6-amine::N-benzyl-9-isopropyl-9H-purin-6-amine::purine deriv. 9
SMILES: CC(C)n1cnc2c(NCc3ccccc3)ncnc12
InChI Key: InChIKey=JBLZWJCKPDQCNX-UHFFFAOYSA-N
Data: 4 IC50
PDB links: 6 PDB IDs contain this monomer as substructures. 6 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 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM10641 (6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Palacky University | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P... | J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human)) | BDBM10641 (6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description In vitro antiproliferative activity against myeloid leukemia K562 cell line | Bioorg Med Chem Lett 13: 2989-92 (2003) BindingDB Entry DOI: 10.7270/Q29Z948Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human)) | BDBM10641 (6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic Curated by ChEMBL | Assay Description In vitro antiproliferative activity against myeloid leukemia K562 cell line | Bioorg Med Chem Lett 13: 2989-92 (2003) BindingDB Entry DOI: 10.7270/Q29Z948Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM10641 (6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Palacky University | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P... | J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8 | |||||||||||
More data for this Ligand-Target Pair |