BDBM385212 US10287267, Compound 448::US10508099, Compound 448::US10556885, Compound 448

SMILES: CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1

InChI Key: InChIKey=AWWYZTQORGXNMJ-WGSAOQKQSA-N

Data: 8 EC50

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 8 hits for monomerid = 385212   

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))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Novartis					Assay Description Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...				J Med Chem 51: 7049-52 (2008) BindingDB Entry DOI: 10.7270/Q2MS3W3C
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a
Novartis					Assay Description The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., col...				J Med Chem 51: 7049-52 (2008) BindingDB Entry DOI: 10.7270/Q2MS3W3C
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Novartis					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				J Med Chem 51: 7049-52 (2008) BindingDB Entry DOI: 10.7270/Q2MS3W3C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...				US Patent US10556885 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions. This is a non-radioactive...				US Patent US10556885 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
					More data for this Ligand-Target Pair
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385212 (US10287267, Compound 448 | US10508099, Compound 44...) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)| Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...				US Patent US10508099 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5J0C
					More data for this Ligand-Target Pair