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SMILES: CCn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=SLAGYHVTVHEHQY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 246394   
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))		BDBM246394
PNG
(US9446130, 4)
Show SMILES CCn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H25F3N8O2/c1-2-39-20-4-3-10-27(41,19(20)15-35-39)26-37-22(23-24(32)34-12-13-38(23)26)16-5-7-17(8-6-16)25(40)36-21-14-18(9-11-33-21)28(29,30)31/h5-9,11-15,41H,2-4,10H2,1H3,(H2,32,34)(H,33,36,40)
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PC cid
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US Patent
n/an/a 12.0n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Method A: BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular ...

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair