BDBM351831 US9796716, Compound 74

SMILES: CC(C)Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1

InChI Key: InChIKey=WURLGBBMYJMJGC-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 = 351831   

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))	BDBM351831 (US9796716, Compound 74) Show SMILES CC(C)Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1 Show InChI InChI=1S/C30H32FN7O3/c1-19(2)15-37-18-33-14-23(37)16-40-25-11-21(31)12-26(13-25)41-24-5-3-20(4-6-24)28-27-29(32)34-17-35-30(27)38(36-28)22-7-9-39-10-8-22/h3-6,11-14,17-19,22H,7-10,15-16H2,1-2H3,(H2,32,34,35)	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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