BDBM8127 N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine::N-methyl-N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine::pyrazolo[1,5-b]pyridazine deriv. 17

SMILES: CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12

InChI Key: InChIKey=XYEFJKRTJUALOK-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8127   

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 (CDK2) (Homo sapiens (Human))	BDBM8127 (N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...) Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.99E+4	n/a	n/a	n/a	n/a	7.2	22
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM8127 (N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...) Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...				ACS Med Chem Lett 11: 1620-1626 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8127 (N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...) Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...				J Med Chem 47: 4716-30 (2004) Article DOI: 10.1021/jm040063i BindingDB Entry DOI: 10.7270/Q2VM49HJ
					More data for this Ligand-Target Pair