null

SMILES: O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F

InChI Key: InChIKey=URFXBQPKXUWFFL-GYLYAWIFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377248   

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))	BDBM50377248 (CHEMBL255905) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)| Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377248 (CHEMBL255905) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)| Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair