BDBM7584 1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::1-{6-[(3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::C-2 alkynylated purine deriv. 5e::CHEMBL282193
SMILES: CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
InChI Key: InChIKey=PTXLIQGTDWMAAF-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM7584 (1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie | 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. 32... | J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent-like kinase 5 (Homo sapiens (Human)) | BDBM7584 (1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie Curated by ChEMBL | Assay Description Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 | J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM7584 (1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie Curated by ChEMBL | Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1) | J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q | |||||||||||
More data for this Ligand-Target Pair |