BDBM351867 US9796716, Compound 112

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

InChI Key: InChIKey=DBFIVGZVRSEGSB-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 = 351867   

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))	BDBM351867 (US9796716, Compound 112) Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CC(C)(C)O)c3ncnc(N)c23)c1 Show InChI InChI=1S/C26H26FN7O3/c1-26(2,35)13-34-25-22(24(28)30-14-31-25)23(32-34)16-4-6-19(7-5-16)37-21-9-17(27)8-20(10-21)36-12-18-11-29-15-33(18)3/h4-11,14-15,35H,12-13H2,1-3H3,(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
					More data for this Ligand-Target Pair