BDBM11441 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine::pyrazolo[1,5-a]pyrimidine 9n
SMILES: N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncc(Br)c2n1
InChI Key: InChIKey=GZVRXEGFMOGBKP-QAQDUYKDSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat)) | BDBM11441 (5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | 30 |
Martin-Luther-University Halle-Wittenberg | Assay Description In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g... | Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM11441 (5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vernalis (R&D) Ltd | Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP... | Bioorg Med Chem Lett 15: 863-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.073 BindingDB Entry DOI: 10.7270/Q2ZK5DWP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |