BDBM281745 US10023534, Example 3::US10023534, Example 8

SMILES: NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12

InChI Key: InChIKey=QSWOYYYZRAWWCV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 281745   

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))	BDBM281745 (US10023534, Example 3 | US10023534, Example 8) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(2.26,6.93,;.93,6.16,;-.4,6.93,;.93,4.62,;2.26,3.85,;2.26,2.31,;3.6,1.54,;.93,1.54,;.93,,;-.4,-.77,;-.4,-2.31,;.93,-3.08,;2.26,-2.31,;3.6,-3.08,;4.93,-2.31,;4.93,-.77,;3.6,,;2.26,-.77,;3.6,-4.62,;2.26,-5.39,;4.93,-5.39,;4.93,-6.93,;-.4,2.31,;-1.87,1.83,;-2.49,.43,;-4.03,.27,;-4.93,1.51,;-4.3,2.92,;-2.77,3.08,;-1.87,4.33,;-.4,3.85,)| Show InChI InChI=1S/C24H18FN3O3/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)	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	0.0770	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281745 (US10023534, Example 3 | US10023534, Example 8) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(2.26,6.93,;.93,6.16,;-.4,6.93,;.93,4.62,;2.26,3.85,;2.26,2.31,;3.6,1.54,;.93,1.54,;.93,,;-.4,-.77,;-.4,-2.31,;.93,-3.08,;2.26,-2.31,;3.6,-3.08,;4.93,-2.31,;4.93,-.77,;3.6,,;2.26,-.77,;3.6,-4.62,;2.26,-5.39,;4.93,-5.39,;4.93,-6.93,;-.4,2.31,;-1.87,1.83,;-2.49,.43,;-4.03,.27,;-4.93,1.51,;-4.3,2.92,;-2.77,3.08,;-1.87,4.33,;-.4,3.85,)| Show InChI InChI=1S/C24H18FN3O3/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)	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	0.0750	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair