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SMILES: COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=YFCHBNVHJQLUKD-MJGOQNOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255350   
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))		BDBM255350
PNG
(US9481682, 100)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H30F3N7O3/c1-29(2)14-19-6-4-17(15-40(19)28(29)42)26-38-23(24-25(34)36-10-11-39(24)26)20-7-5-16(12-21(20)43-3)27(41)37-22-13-18(8-9-35-22)30(31,32)33/h5,7-13,17,19H,4,6,14-15H2,1-3H3,(H2,34,36)(H,35,37,41)/t17-,19+/m1/s1
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US Patent
n/an/a 0.510n/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