BDBM385123 US10287267, Compound 279::US10508099, Compound 279::US10556885, Compound 279

SMILES: Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C

InChI Key: InChIKey=QWBDJKLFEBJTFT-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 = 385123   

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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	14	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.65E+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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	7.80	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.65E+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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	14	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	14	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	7.80	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	14	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	7.80	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))	BDBM385123 (US10287267, Compound 279 | US10508099, Compound 27...) Show SMILES Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C Show InChI InChI=1S/C22H25F3N6O/c1-14-28-29-20(30(14)2)16-3-4-17-13-26-19(12-18(17)11-16)27-21(32)15-5-8-31(9-6-15)10-7-22(23,24)25/h3-4,11-13,15H,5-10H2,1-2H3,(H,26,27,32)	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	7.80	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