BDBM259413 US10457647, Example 12::US9512084, 12

SMILES: CN(CCOc1c(N)ncnc1-c1cccc(c1)-n1ccc2cc(cc(F)c2c1=O)C1CC1)C(=O)C=C

InChI Key: InChIKey=ROYGBUGGEVOCCJ-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 = 259413   

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))	BDBM259413 (US10457647, Example 12 | US9512084, 12) Show SMILES CN(CCOc1c(N)ncnc1-c1cccc(c1)-n1ccc2cc(cc(F)c2c1=O)C1CC1)C(=O)C=C Show InChI InChI=1S/C28H26FN5O3/c1-3-23(35)33(2)11-12-37-26-25(31-16-32-27(26)30)19-5-4-6-21(14-19)34-10-9-18-13-20(17-7-8-17)15-22(29)24(18)28(34)36/h3-6,9-10,13-17H,1,7-8,11-12H2,2H3,(H2,30,31,32)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US10457647 (2019) BindingDB Entry DOI: 10.7270/Q2KH0QPQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259413 (US10457647, Example 12 | US9512084, 12) Show SMILES CN(CCOc1c(N)ncnc1-c1cccc(c1)-n1ccc2cc(cc(F)c2c1=O)C1CC1)C(=O)C=C Show InChI InChI=1S/C28H26FN5O3/c1-3-23(35)33(2)11-12-37-26-25(31-16-32-27(26)30)19-5-4-6-21(14-19)34-10-9-18-13-20(17-7-8-17)15-22(29)24(18)28(34)36/h3-6,9-10,13-17H,1,7-8,11-12H2,2H3,(H2,30,31,32)	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	12	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair