BDBM50538088 CHEMBL4640598

SMILES: C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12

InChI Key: InChIKey=NUTLDYDKKRBTHZ-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 = 50538088   

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 1A (Homo sapiens (Human))	BDBM50538088 (CHEMBL4640598) Show SMILES C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C17H17N3O/c1-6-18-7-2-13(1)16-12-20(14-4-9-21-10-5-14)17-11-19-8-3-15(16)17/h1-3,6-8,11-12,14H,4-5,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	352	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50538088 (CHEMBL4640598) Show SMILES C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C17H17N3O/c1-6-18-7-2-13(1)16-12-20(14-4-9-21-10-5-14)17-11-19-8-3-15(16)17/h1-3,6-8,11-12,14H,4-5,9-10H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 Inhibition of human ERG by Qpatch S8 assay				J Med Chem 63: 2958-2973 (2020)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50538088 (CHEMBL4640598) Show SMILES C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C17H17N3O/c1-6-18-7-2-13(1)16-12-20(14-4-9-21-10-5-14)17-11-19-8-3-15(16)17/h1-3,6-8,11-12,14H,4-5,9-10H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50538088 (CHEMBL4640598) Show SMILES C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12 Show InChI InChI=1S/C17H17N3O/c1-6-18-7-2-13(1)16-12-20(14-4-9-21-10-5-14)17-11-19-8-3-15(16)17/h1-3,6-8,11-12,14H,4-5,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.45E+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