BDBM351877 US9796716, Compound 122

SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)cn1

InChI Key: InChIKey=LPKUNCMCSLQLMC-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 = 351877   

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))	BDBM351877 (US9796716, Compound 122) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)cn1 Show InChI InChI=1S/C27H26FN7O3/c1-16-30-11-17(12-31-16)13-37-21-8-19(28)9-22(10-21)38-20-6-4-18(5-7-20)24-23-25(29)32-15-33-26(23)35(34-24)14-27(2,3)36/h4-12,15,36H,13-14H2,1-3H3,(H2,29,32,33)	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