BDBM384254 US10280184, Example F.1.19

SMILES: C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc(nc2)N2CCOCC2)n1

InChI Key: InChIKey=MPYVTJYHNIRRCX-UHFFFAOYSA-N

Data: 1 IC50

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 = 384254   

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))	BDBM384254 (US10280184, Example F.1.19) Show SMILES C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc(nc2)N2CCOCC2)n1 Show InChI InChI=1S/C21H24N8O2/c1-2-19(30)28-6-5-15(12-28)17-13-29-21(23-14-24-29)20(26-17)25-16-3-4-18(22-11-16)27-7-9-31-10-8-27/h2-4,11,13-15H,1,5-10,12H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				J Med Chem 51: 6725-39 (2008) BindingDB Entry DOI: 10.7270/Q2PR7Z9P
					More data for this Ligand-Target Pair