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SMILES: Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1

InChI Key: InChIKey=BIUUNNLYIFUYGY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 385194   

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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	80	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	413	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	0.600	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
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	413	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	80	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	80	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	0.600	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	80	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	0.600	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))	BDBM385194 (US10287267, Compound 358 | US10508099, Compound 35...) Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1 Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)	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	0.600	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