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SMILES: Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1

InChI Key: InChIKey=XRMDUUNRWNFGCZ-UHFFFAOYSA-N

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

Found 1 hit for monomerid = 263526   
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))		BDBM263526
PNG
(US9556150, i-14 | [5-amino-1-(2-chloro-4- phenoxy-...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H24ClN5O4/c30-23-16-21(39-20-4-2-1-3-5-20)7-9-26(23)35-28(31)22(17-32-35)27(36)25-15-19-14-18(6-8-24(19)33-25)29(37)34-10-12-38-13-11-34/h1-9,14-17,33H,10-13,31H2
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.460n/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