BDBM351800 US9796716, Compound 44

SMILES: Nc1ncnc2n(CCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12

InChI Key: InChIKey=NAMMXCJAZIPKBU-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 = 351800   

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))	BDBM351800 (US9796716, Compound 44) Show SMILES Nc1ncnc2n(CCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12 Show InChI InChI=1S/C27H27N7O3S/c28-26-24-25(32-34(27(24)31-17-30-26)9-8-33-10-12-35-13-11-33)19-4-6-20(7-5-19)37-22-3-1-2-21(14-22)36-16-23-15-29-18-38-23/h1-7,14-15,17-18H,8-13,16H2,(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