BDBM50259570 CHEMBL4102871

SMILES: CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1

InChI Key: InChIKey=WEQRXDXDFLBIDK-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50259570   

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
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scin...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	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	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	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	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintill...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50259570 (CHEMBL4102871) Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...				Eur J Med Chem 125: 696-709 (2017) Article DOI: 10.1016/j.ejmech.2016.09.064 BindingDB Entry DOI: 10.7270/Q2M61NPG
					More data for this Ligand-Target Pair