BDBM7672 4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl)amino]-N-methylbenzene-1-sulfonamide::CHEMBL520003::Imidazo[1,2-b]pyridazine deriv. 2b
SMILES: CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
InChI Key: InChIKey=FOJLLPFLWQTXFD-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 2 (Homo sapiens (Human)) | BDBM7672 (4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...) | 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 | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CDK2 | Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM7672 (4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
AstraZeneca | Assay Description The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb. | Bioorg Med Chem Lett 14: 2249-52 (2004) Article DOI: 10.1016/j.bmcl.2004.02.008 BindingDB Entry DOI: 10.7270/Q2XG9PCF | |||||||||||
More data for this Ligand-Target Pair |