BDBM50389088 CHEMBL2064516

SMILES: N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1

InChI Key: InChIKey=RMCVVJFCJYYDDO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50389088   

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
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50389088 (CHEMBL2064516) Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C17H11N3O3S/c18-8-11-2-1-3-12(6-11)9-24-17-20-19-16(23-17)13-4-5-14-15(7-13)22-10-21-14/h1-7H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3alpha				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50389088 (CHEMBL2064516) Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C17H11N3O3S/c18-8-11-2-1-3-12(6-11)9-24-17-20-19-16(23-17)13-4-5-14-15(7-13)22-10-21-14/h1-7H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair