null

SMILES: COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

InChI Key: InChIKey=QXGWFGOTMGPLKW-SHTZXODSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 422353   

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
Proto-oncogene Wnt-1 (Homo sapiens (human))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.41E+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))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	1.70	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))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	40	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))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	1.70	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))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	40	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DVD
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	1.70	n/a	n/a	n/a	n/a
TBA					Assay Description The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Divis...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RF5Z63
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	40	n/a	n/a	n/a	n/a
TBA					Assay Description The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RF5Z63
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	1.70	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q25X2DVD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM422353 (US10508099, Compound 1084 | US10556885, Compound 1...) Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)| Show InChI InChI=1S/C22H24N4O3/c1-26-13-19(12-24-26)16-7-8-17-11-23-20(10-18(17)9-16)25-21(27)14-3-5-15(6-4-14)22(28)29-2/h7-15H,3-6H2,1-2H3,(H,23,25,27)/t14-,15-	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	40	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