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SMILES: COc1cccc(F)c1-c1cc2c(NCc3ccc(cc3)N3CCN(C)CC3)n[nH]c2cn1

InChI Key: InChIKey=BDUMIRSFNLPBJK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 414624   

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
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM414624 (US10435405, Example 41 | US10934288, Example 41) Show SMILES COc1cccc(F)c1-c1cc2c(NCc3ccc(cc3)N3CCN(C)CC3)n[nH]c2cn1 Show InChI InChI=1S/C25H27FN6O/c1-31-10-12-32(13-11-31)18-8-6-17(7-9-18)15-28-25-19-14-21(27-16-22(19)29-30-25)24-20(26)4-3-5-23(24)33-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,28,29,30)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00172 BindingDB Entry DOI: 10.7270/Q29G5RT0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM414624 (US10435405, Example 41 | US10934288, Example 41) Show SMILES COc1cccc(F)c1-c1cc2c(NCc3ccc(cc3)N3CCN(C)CC3)n[nH]c2cn1 Show InChI InChI=1S/C25H27FN6O/c1-31-10-12-32(13-11-31)18-8-6-17(7-9-18)15-28-25-19-14-21(27-16-22(19)29-30-25)24-20(26)4-3-5-23(24)33-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,28,29,30)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US10435405 (2019) BindingDB Entry DOI: 10.7270/Q2W37ZPX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM414624 (US10435405, Example 41 | US10934288, Example 41) Show SMILES COc1cccc(F)c1-c1cc2c(NCc3ccc(cc3)N3CCN(C)CC3)n[nH]c2cn1 Show InChI InChI=1S/C25H27FN6O/c1-31-10-12-32(13-11-31)18-8-6-17(7-9-18)15-28-25-19-14-21(27-16-22(19)29-30-25)24-20(26)4-3-5-23(24)33-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,28,29,30)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US10934288 (2021) BindingDB Entry DOI: 10.7270/Q2GT5R98
					More data for this Ligand-Target Pair