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SMILES: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)Cn3sc4ccccc4c3=O)c2)nc1

InChI Key: InChIKey=WSKJKLHSXGZRDE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020488   
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))		BDBM50020488
PNG
(CHEMBL3290146)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)Cn3sc4ccccc4c3=O)c2)nc1
Show InChI InChI=1S/C35H26F3N7O4S/c1-20-12-13-25(42-31(47)21-6-4-7-22(14-21)35(36,37)38)16-28(20)32(48)43-26-17-39-34(40-18-26)44-24-9-5-8-23(15-24)41-30(46)19-45-33(49)27-10-2-3-11-29(27)50-45/h2-18H,19H2,1H3,(H,41,46)(H,42,47)(H,43,48)(H,39,40,44)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of Btk (unknown origin) after 1 hr by HTRF assay

J Med Chem 57: 5112-28 (2014)


Article DOI: 10.1021/jm4017762
BindingDB Entry DOI: 10.7270/Q2NK3GKX
More data for this
Ligand-Target Pair