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SMILES: CCC(=O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12

InChI Key: InChIKey=MWPRAMQDGAXUMW-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267532   
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))		BDBM267532
PNG
((R)-4-(8-amino-3-(1-(2-(3,4-dimethylphenylamino)-2...)
Show SMILES CCC(=O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C30H31N7O3/c1-2-23(38)30(40)36-14-3-4-22(17-36)28-35-25(26-27(31)33-13-15-37(26)28)19-7-9-20(10-8-19)29(39)34-24-16-21(11-12-32-24)18-5-6-18/h7-13,15-16,18,22H,2-6,14,17H2,1H3,(H2,31,33)(H,32,34,39)/t22-/m1/s1
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US Patent
n/an/an/an/a<10n/an/a7.225



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

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...

US Patent US9718828 (2017)


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