BDBM351878 US9796716, Compound 123

SMILES: CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)n4C)c3)cc2)c2c(N)ncnc12

InChI Key: InChIKey=RURPQNOJCPUWHU-UHFFFAOYSA-N

Data: 1 KI

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 = 351878   

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))	BDBM351878 (US9796716, Compound 123) Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)n4C)c3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C26H26FN7O2/c1-15(2)34-26-23(25(28)30-14-31-26)24(32-34)17-5-7-20(8-6-17)36-22-10-18(27)9-21(11-22)35-13-19-12-29-16(3)33(19)4/h5-12,14-15H,13H2,1-4H3,(H2,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
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