null

SMILES: CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1

InChI Key: InChIKey=VJGWPPPCHDCKIL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 264418   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM264418 (US9714247, 140) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C26H26F2N6O/c1-33-10-8-17(9-11-33)34(2)18-6-7-23(30-15-18)32-24-13-22-16(14-29-24)12-19(26(35)31-22)25-20(27)4-3-5-21(25)28/h3-7,12-15,17H,8-11H2,1-2H3,(H,31,35)(H,29,30,32)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM264418 (US9714247, 140) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C26H26F2N6O/c1-33-10-8-17(9-11-33)34(2)18-6-7-23(30-15-18)32-24-13-22-16(14-29-24)12-19(26(35)31-22)25-20(27)4-3-5-21(25)28/h3-7,12-15,17H,8-11H2,1-2H3,(H,31,35)(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM264418 (US9714247, 140) Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1 |(-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-8,-2.69,;-9.34,-1.93,;-10.67,-2.69,;-9.34,-.38,;-8,.38,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;8,-2.69,;6.67,-.38,;5.33,.38,;4,-.38,;2.67,.38,;1.33,-.38,;8,.38,;9.34,-.38,;9.34,-1.93,;10.67,.38,;10.67,1.93,;9.34,2.69,;8,1.93,;6.67,2.69,;-2.67,-2.69,;-4,-1.93,)| Show InChI InChI=1S/C26H26F2N6O/c1-33-10-8-17(9-11-33)34(2)18-6-7-23(30-15-18)32-24-13-22-16(14-29-24)12-19(26(35)31-22)25-20(27)4-3-5-21(25)28/h3-7,12-15,17H,8-11H2,1-2H3,(H,31,35)(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Tolero Pharmaceuticals, Inc.; Mannkind Corporation US Patent					Assay Description A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...				US Patent US9714247 (2017) BindingDB Entry DOI: 10.7270/Q2BR8V6C
					More data for this Ligand-Target Pair