BDBM362424 US9834554, Example 38

SMILES: Nc1nccc(C(=N)[C@@H]2CC[C@H]3CCC(=O)N3C2)c1Nc1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=PHLZHBDUMGLORE-APWZRJJASA-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 = 362424   

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))	BDBM362424 (US9834554, Example 38) Show SMILES Nc1nccc(C(=N)[C@@H]2CC[C@H]3CCC(=O)N3C2)c1Nc1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N7O2/c28-27(29,30)17-9-11-33-21(13-17)36-26(39)15-1-4-18(5-2-15)35-24-20(10-12-34-25(24)32)23(31)16-3-6-19-7-8-22(38)37(19)14-16/h1-2,4-5,9-13,16,19,31,35H,3,6-8,14H2,(H2,32,34)(H,33,36,39)/t16-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV
					More data for this Ligand-Target Pair