null

SMILES: CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

InChI Key: InChIKey=JDPSSCWHJHZDTB-ZWMLATERSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 385372   

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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,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	10.2	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	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	210	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.90E+3	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.90E+3	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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,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	10.2	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	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	210	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,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	20	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...				US Patent US10604514 (2020)
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	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	21	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &...				US Patent US10604514 (2020)
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,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	10.2	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	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	210	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	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	10.2	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))	BDBM385372 (US10287267, Compound 1082 | US10508099, Compound 1...) Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)| Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-	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	210	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