BDBM264412 US9714247, 134

SMILES: CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1

InChI Key: InChIKey=KQJSKBOGUDSNLQ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 264412   

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))	BDBM264412 (US9714247, 134) Show SMILES CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)| Show InChI InChI=1S/C26H25F3N6O/c1-33-7-9-34(10-8-33)11-12-35-22-14-24(32-23-6-5-18(27)16-31-23)30-15-17(22)13-19(26(35)36)25-20(28)3-2-4-21(25)29/h2-6,13-16H,7-12H2,1H3,(H,30,31,32)	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))	BDBM264412 (US9714247, 134) Show SMILES CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)| Show InChI InChI=1S/C26H25F3N6O/c1-33-7-9-34(10-8-33)11-12-35-22-14-24(32-23-6-5-18(27)16-31-23)30-15-17(22)13-19(26(35)36)25-20(28)3-2-4-21(25)29/h2-6,13-16H,7-12H2,1H3,(H,30,31,32)	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))	BDBM264412 (US9714247, 134) Show SMILES CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)| Show InChI InChI=1S/C26H25F3N6O/c1-33-7-9-34(10-8-33)11-12-35-22-14-24(32-23-6-5-18(27)16-31-23)30-15-17(22)13-19(26(35)36)25-20(28)3-2-4-21(25)29/h2-6,13-16H,7-12H2,1H3,(H,30,31,32)	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