BDBM385092 US10287267, Compound 96::US10508099, Compound 96::US10556885, Compound 96

SMILES: CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

InChI Key: InChIKey=CODNMAWERAXBRL-UHFFFAOYSA-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 10 hits for monomerid = 385092   

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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	350	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	7.10	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	350	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	350	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	7.10	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	350	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	7.10	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))	BDBM385092 (US10287267, Compound 96 | US10508099, Compound 96 ...) Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C23H28FN5O/c1-16(2)14-29-8-6-23(24,7-9-29)22(30)27-21-11-19-10-17(4-5-18(19)12-25-21)20-13-26-28(3)15-20/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,25,27,30)	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	7.10	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