BDBM8338 N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide::pyrazolopyridazine deriv. 18
SMILES: CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F
InChI Key: InChIKey=XMLJBPQUTWBABY-UHFFFAOYSA-N
Data: 2 KI
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 (Homo sapiens (Human)) | BDBM8338 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.950 | -12.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
GlaxoSmithKline | Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. Aft... | Bioorg Med Chem Lett 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM8338 (N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 450 | -8.54 | n/a | n/a | n/a | n/a | n/a | 7.5 | 21 |
GlaxoSmithKline | 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 13: 1581-4 (2003) Article DOI: 10.1016/s0960-894x(03)00135-5 BindingDB Entry DOI: 10.7270/Q2BK19JV | |||||||||||
More data for this Ligand-Target Pair |