BDBM351792 US9796716, Compound 36

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCOCC1

InChI Key: InChIKey=IXOAWPAREKODDG-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 = 351792   

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))	BDBM351792 (US9796716, Compound 36) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCOCC1 Show InChI InChI=1S/C30H26F3N5O3/c31-30(32,33)24-6-1-2-7-25(24)40-17-19-4-3-5-23(16-19)41-22-10-8-20(9-11-22)27-26-28(34)35-18-36-29(26)38(37-27)21-12-14-39-15-13-21/h1-11,16,18,21H,12-15,17H2,(H2,34,35,36)	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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