BDBM8181 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridazin-3-yl]pyrimidin-2-amine::pyrazolo[1,5-b]pyridazine deriv. 72

SMILES: COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

InChI Key: InChIKey=PHMQSKGFSDGFMK-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 8181   

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))	BDBM8181 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-metho...) Show SMILES COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)	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	>2.00E+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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8181 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-metho...) Show SMILES COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)	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	5.01E+3	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))	BDBM8181 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-metho...) Show SMILES COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)	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	<2.00E+4	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8181 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-metho...) Show SMILES COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)	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	5.01E+3	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