BDBM165306 US9688629, 102

SMILES: Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O

InChI Key: InChIKey=VJUDUDJSWCMEQP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 165306   

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))	BDBM165306 (US9688629, 102) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.63,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)| Show InChI InChI=1S/C22H20FN3O3/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.170	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 US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair