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SMILES: CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc23)C1

InChI Key: InChIKey=CCQOMYQXNWBYQO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 143322   
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))		BDBM143322
PNG
(US8940893, 7)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-14-26(15-32)11-18(12-26)33-25-22(24(27)29-16-30-25)23(31-33)17-9-10-20(28-13-17)35-19-7-4-3-5-8-19/h3-5,7-10,13,16,18H,11-12,14-15H2,1H3,(H2,27,29,30)
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Similars
US Patent
n/an/a 1.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair