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SMILES: CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C

InChI Key: InChIKey=UYBNINWXBVVINU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 385381   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	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	62.7	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))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	PDB MMDB NCI pathway 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	132	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))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	247	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
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	247	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	PDB MMDB NCI pathway 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	132	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))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	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	62.7	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	PDB MMDB NCI pathway 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	132	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))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	62.7	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385381 (US10287267, Compound 1092 | US10508099, Compound 1...) Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C Show InChI InChI=1S/C21H27N7O/c1-14(2)13-28-8-6-15(7-9-28)21(29)23-19-11-18-10-16(4-5-17(18)12-22-19)20-24-25-26-27(20)3/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,22,23,29)	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	62.7	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