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SMILES: Nc1c(cnn1-c1ccc(Oc2cccc(C#N)c2F)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O

InChI Key: InChIKey=QYGROOKKWZGHEY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 263560   
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))		BDBM263560
PNG
(2-{5-amino-1-[2-chloro-4-(3- cyano-2-fluoro-phenox...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(C#N)c2F)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C26H15ClFN5O4/c27-18-10-16(37-22-3-1-2-14(11-29)23(22)28)5-7-21(18)33-25(30)17(12-31-33)24(34)20-9-15-8-13(26(35)36)4-6-19(15)32-20/h1-10,12,32H,30H2,(H,35,36)
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MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...

US Patent US9556150 (2017)


BindingDB Entry DOI: 10.7270/Q2571F1S
More data for this
Ligand-Target Pair