BDBM97722 US8476267, 19

SMILES: Nc1nc(NC2CCCN(C2)c2nc(cn3nc(cc23)C(O)=O)-c2ccc(Cl)cc2Cl)sc1C#N

InChI Key: InChIKey=VLUFCCGODLLKEF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 97722   

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))	BDBM97722 (US8476267, 19) Show SMILES Nc1nc(NC2CCCN(C2)c2nc(cn3nc(cc23)C(O)=O)-c2ccc(Cl)cc2Cl)sc1C#N Show InChI InChI=1S/C22H18Cl2N8O2S/c23-11-3-4-13(14(24)6-11)16-10-32-17(7-15(30-32)21(33)34)20(28-16)31-5-1-2-12(9-31)27-22-29-19(26)18(8-25)35-22/h3-4,6-7,10,12H,1-2,5,9,26H2,(H,27,29)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	30
Bayer Intellectual Property GmbH US Patent					Assay Description The inhibitory activity of active substance is determined in a biochemical assay.				US Patent US8476267 (2013) BindingDB Entry DOI: 10.7270/Q20863X0
					More data for this Ligand-Target Pair