BDBM384258 US10280184, Example F.1.23

SMILES: Cn1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)n1

InChI Key: InChIKey=FIPPLGISZKBGEC-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 = 384258   

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))	BDBM384258 (US10280184, Example F.1.23) Show SMILES Cn1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)n1 Show InChI InChI=1S/C16H18N8O/c1-3-14(25)23-7-4-11(8-23)12-9-24-16(17-10-18-24)15(19-12)20-13-5-6-22(2)21-13/h3,5-6,9-11H,1,4,7-8H2,2H3,(H,19,20,21)	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	2.55E+4	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