BDBM8126 N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine::pyrazolo[1,5-b]pyridazine deriv. 16

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

InChI Key: InChIKey=LIYXXFOSHNQSRD-UHFFFAOYSA-N

Data: 1 KI  10 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 11 hits for monomerid = 8126   

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 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of GSK3beta expressed in Escherichia coli or baculovirus-infected insect cells using ATP as substrate by fluorescence polarization assay				J Med Chem 54: 5131-43 (2011) Article DOI: 10.1021/jm200349b BindingDB Entry DOI: 10.7270/Q2F47PHP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	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
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	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	158	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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CDK4 by radioactive glutathione plate-binding assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	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	5	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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK2 by HTRF assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair