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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)[N+]#[C-])c12)C1CCCC1

InChI Key: InChIKey=MXPBIZOOBSJMCW-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267515   
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))		BDBM267515
PNG
(4-(8-amino-3-cyclopentylimidazo[1,5-a]pyrazin-1-yl...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)[N+]#[C-])c12)C1CCCC1
Show InChI InChI=1S/C24H21N7O/c1-26-18-10-11-27-19(14-18)29-24(32)17-8-6-15(7-9-17)20-21-22(25)28-12-13-31(21)23(30-20)16-4-2-3-5-16/h6-14,16H,2-5H2,(H2,25,28)(H,27,29,32)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...

US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair