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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(c(cn3)C#N)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1

InChI Key: InChIKey=JNSFFGWQPFAGNH-MJGOQNOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255366   
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))		BDBM255366
PNG
(US9481682, 117)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(c(cn3)C#N)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C28H23F3N8O2/c29-28(30,31)20-11-21(35-13-18(20)12-32)36-27(41)16-3-1-15(2-4-16)23-24-25(33)34-9-10-38(24)26(37-23)17-5-6-19-7-8-22(40)39(19)14-17/h1-4,9-11,13,17,19H,5-8,14H2,(H2,33,34)(H,35,36,41)/t17-,19+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair