BDBM255294 US9481682, 43

SMILES: Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1

InChI Key: InChIKey=RRVKCPQCTDDVND-MSOLQXFVSA-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 = 255294   

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))	BDBM255294 (US9481682, 43) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r| Show InChI InChI=1S/C29H28FN7O3/c30-22-13-16(29(39)34-23-14-20(9-10-32-23)40-19-5-6-19)2-7-21(22)25-26-27(31)33-11-12-36(26)28(35-25)17-1-3-18-4-8-24(38)37(18)15-17/h2,7,9-14,17-19H,1,3-6,8,15H2,(H2,31,33)(H,32,34,39)/t17-,18+/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	0.130	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