BDBM50538087 CHEMBL4644898

SMILES: CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1

InChI Key: InChIKey=SNTQSJLLVJJTOM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50538087   

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))	BDBM50538087 (CHEMBL4644898) Show SMILES CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1 Show InChI InChI=1S/C17H17N3O/c1-17(11-21-12-17)10-20-9-15(13-2-5-18-6-3-13)14-4-7-19-8-16(14)20/h2-9H,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	315	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)	BDBM50538087 (CHEMBL4644898) Show SMILES CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1 Show InChI InChI=1S/C17H17N3O/c1-17(11-21-12-17)10-20-9-15(13-2-5-18-6-3-13)14-4-7-19-8-16(14)20/h2-9H,10-12H2,1H3	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))	BDBM50538087 (CHEMBL4644898) Show SMILES CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1 Show InChI InChI=1S/C17H17N3O/c1-17(11-21-12-17)10-20-9-15(13-2-5-18-6-3-13)14-4-7-19-8-16(14)20/h2-9H,10-12H2,1H3	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	>2.85E+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