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SMILES: CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)ncnc12

InChI Key: InChIKey=HMSRSPZPGUNLQC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 351883   
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))		BDBM351883
PNG
(US9796716, Compound 128)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H25FN6O3/c1-16(2)34-27-24(26(29)31-15-32-27)25(33-34)18-4-7-21(8-5-18)37-23-10-19(28)9-22(11-23)36-14-17-3-6-20(13-35)30-12-17/h3-12,15-16,35H,13-14H2,1-2H3,(H2,29,31,32)
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US Patent
<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...

US Patent US9796716 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
More data for this
Ligand-Target Pair