BDBM50259526 CHEMBL4093104

SMILES: CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1

InChI Key: InChIKey=OHARPIGKJAKOCM-AWEZNQCLSA-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 = 50259526   

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 tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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 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
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (Homo sapiens (Human))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	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)	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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 tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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 Inhibitory concentration against thrombin (FIIa); n=2				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)	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	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	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 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)	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	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	>1.00E+4	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 5 (CDK5) (Homo sapiens (Human))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	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	480	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 Binding affinity for dopamine D2 receptor was determined using NIMH DPSP radioligand				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))	BDBM50259526 (CHEMBL4093104) Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r| Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1	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	79	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