BDBM50251436 CHEMBL4091320

SMILES: COCCn1cc(-c2ccncc2)c2ccncc12

InChI Key: InChIKey=OVRGOPVESVCREL-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50251436   

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
Nuclear factor of activated T-cells, cytoplasmic 1 (Homo sapiens)	BDBM50251436 (CHEMBL4091320) Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI...				Bioorg Med Chem Lett 27: 2617-2621 (2017) Article DOI: 10.1016/j.bmcl.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SN0CFP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50251436 (CHEMBL4091320) Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged GSK3B recombinant in baculovirus expression system using Alexa-Fluor tracer-236 incubated for ...				Bioorg Med Chem Lett 27: 2617-2621 (2017) Article DOI: 10.1016/j.bmcl.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SN0CFP
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50251436 (CHEMBL4091320) Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50251436 (CHEMBL4091320) Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate ...				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50251436 (CHEMBL4091320) Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of recombinant human His/GST-tagged GSK3beta (2 to 433 residues) expressed in baculovirus infected Sf9 cells using Ulight-glycogen synthas...				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50251436 (CHEMBL4091320) Show SMILES COCCn1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C15H15N3O/c1-19-9-8-18-11-14(12-2-5-16-6-3-12)13-4-7-17-10-15(13)18/h2-7,10-11H,8-9H2,1H3	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in baculovirus expression system using Alexa-Fluor tracer-236 incubated for 6...				Bioorg Med Chem Lett 27: 2617-2621 (2017) Article DOI: 10.1016/j.bmcl.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SN0CFP
					More data for this Ligand-Target Pair