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SMILES: Cc1cnc(N)c2c(nc([C@H]3CN(Cc4cnn(C)c4)CCO3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=CACKZJYCRAAWHB-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267893   
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))		BDBM267893
PNG
(4-{8-amino-3-[(2R)-4-(cyclopropylmethyl)morpholin-...)
Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(Cc4cnn(C)c4)CCO3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C29H28F3N9O2/c1-17-12-35-26(33)25-24(38-27(41(17)25)22-16-40(9-10-43-22)15-18-13-36-39(2)14-18)19-3-5-20(6-4-19)28(42)37-23-11-21(7-8-34-23)29(30,31)32/h3-8,11-14,22H,9-10,15-16H2,1-2H3,(H2,33,35)(H,34,37,42)/t22-/m1/s1
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US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

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 US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair