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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM267837'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267837
PNG
(4-[8-amino-5-(methoxymethyl)-3-{(3R)-1-[(3-methylo...)
Show SMILES COCc1cnc(N)c2c(nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C32H34F3N7O4/c1-18-4-5-21(14-41(18)30(44)31(2)16-46-17-31)28-40-25(26-27(36)38-13-23(15-45-3)42(26)28)19-6-8-20(9-7-19)29(43)39-24-12-22(10-11-37-24)32(33,34)35/h6-13,18,21H,4-5,14-17H2,1-3H3,(H2,36,38)(H,37,39,43)/t18-,21+/m0/s1
PDB
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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