BDBM50426172 CHEMBL483841::Ircinin 1

SMILES: C[C@H](CCC\C(C)=C\CCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O

InChI Key: InChIKey=OCOMMFPQKHZTNC-ZOIWKPLKSA-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 = 50426172   

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 beta (Homo sapiens (Human))	BDBM50426172 (CHEMBL483841 | Ircinin 1) Show SMILES C[C@H](CCC\C(C)=C\CCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24| Show InChI InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h7,10-13,15-16,18-19H,4-6,8-9,14H2,1-3H3/b17-7+,23-12?/t18-,19?/m1/s1	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	794	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting				Eur J Med Chem 60: 479-89 (2013) Article DOI: 10.1016/j.ejmech.2012.12.014 BindingDB Entry DOI: 10.7270/Q2R78GJV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50426172 (CHEMBL483841 | Ircinin 1) Show SMILES C[C@H](CCC\C(C)=C\CCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24| Show InChI InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h7,10-13,15-16,18-19H,4-6,8-9,14H2,1-3H3/b17-7+,23-12?/t18-,19?/m1/s1	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	794	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting				Eur J Med Chem 60: 479-89 (2013) Article DOI: 10.1016/j.ejmech.2012.12.014 BindingDB Entry DOI: 10.7270/Q2R78GJV
					More data for this Ligand-Target Pair