BDBM255291 US9481682, 40

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CNCC(=O)N2C1

InChI Key: InChIKey=ZNXJVIMHAMGCOT-MJGOQNOKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255291   

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))	BDBM255291 (US9481682, 40) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CNCC(=O)N2C1 |r| Show InChI InChI=1S/C27H25F3N8O2/c28-27(29,30)18-7-8-33-20(11-18)35-26(40)16-3-1-15(2-4-16)22-23-24(31)34-9-10-37(23)25(36-22)17-5-6-19-12-32-13-21(39)38(19)14-17/h1-4,7-11,17,19,32H,5-6,12-14H2,(H2,31,34)(H,33,35,40)/t17-,19+/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	0.220	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 US9481682 (2016) BindingDB Entry DOI: 10.7270/Q2959GGM
					More data for this Ligand-Target Pair