BDBM246403 US9446130, 19

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCn2c(nnc12)C1CC1

InChI Key: InChIKey=YKZGZLMQSDUAJP-IBGZPJMESA-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 = 246403   

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))	BDBM246403 (US9446130, 19) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCn2c(nnc12)C1CC1 |r| Show InChI InChI=1S/C28H24F3N9O/c29-28(30,31)18-9-10-33-20(14-18)35-27(41)17-7-3-15(4-8-17)21-22-23(32)34-11-13-39(22)25(36-21)19-2-1-12-40-24(16-5-6-16)37-38-26(19)40/h3-4,7-11,13-14,16,19H,1-2,5-6,12H2,(H2,32,34)(H,33,35,41)/t19-/m0/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	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Assay Method B: BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy...				US Patent US9446130 (2016) BindingDB Entry DOI: 10.7270/Q22806H6
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