BDBM351881 US9796716, Compound 126

SMILES: Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)cn1

InChI Key: InChIKey=RDDTVNOAQAGYHB-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 = 351881   

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))	BDBM351881 (US9796716, Compound 126) Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)cn1 Show InChI InChI=1S/C29H27FN6O3/c1-18-3-4-19(12-32-18)13-38-23-9-21(30)10-24(11-23)39-22-7-5-20(6-8-22)26-25-27(31)33-17-34-28(25)36(35-26)14-29(2)15-37-16-29/h3-12,17H,13-16H2,1-2H3,(H2,31,33,34)	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