BDBM351876 US9796716, Compound 121

SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)n1C

InChI Key: InChIKey=BAOUSLJQVRYTLP-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 = 351876   

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))	BDBM351876 (US9796716, Compound 121) Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)n1C Show InChI InChI=1S/C27H28FN7O3/c1-16-30-12-19(34(16)4)13-37-21-9-18(28)10-22(11-21)38-20-7-5-17(6-8-20)24-23-25(29)31-15-32-26(23)35(33-24)14-27(2,3)36/h5-12,15,36H,13-14H2,1-4H3,(H2,29,31,32)	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