BDBM384273 US10280184, Example F.1.39

SMILES: CN1CCn2nc(Nc3cc(cn4ncnc34)[C@@H]3CCN(C3)C(=O)C=C)cc2C1

InChI Key: InChIKey=YQBVFPWWCFTTDD-CQSZACIVSA-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 = 384273   

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))	BDBM384273 (US10280184, Example F.1.39) Show SMILES CN1CCn2nc(Nc3cc(cn4ncnc34)[C@@H]3CCN(C3)C(=O)C=C)cc2C1 |r| Show InChI InChI=1S/C20H24N8O/c1-3-19(29)26-5-4-14(10-26)15-8-17(20-21-13-22-28(20)11-15)23-18-9-16-12-25(2)6-7-27(16)24-18/h3,8-9,11,13-14H,1,4-7,10,12H2,2H3,(H,23,24)/t14-/m1/s1	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	<100	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