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SMILES: Nc1ncc(n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1)C(F)(F)F

InChI Key: InChIKey=KRHDROHUPNEYDY-MOPGFXCFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255461   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255461
PNG
(US9481682, 212)
Show SMILES Nc1ncc(n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1)C(F)(F)F |r|
Show InChI InChI=1S/C30H27F4N7O2/c31-21-11-17(29(43)38-23-12-16(9-10-36-23)15-1-2-15)4-7-20(21)25-26-27(35)37-13-22(30(32,33)34)41(26)28(39-25)18-3-5-19-6-8-24(42)40(19)14-18/h4,7,9-13,15,18-19H,1-3,5-6,8,14H2,(H2,35,37)(H,36,38,43)/t18-,19+/m1/s1
PDB
MMDB

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KEGG

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US Patent
n/an/a 3.80n/an/an/an/an/an/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