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SMILES: Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1

InChI Key: InChIKey=NHHHLFCGDFBKKN-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228290   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM228290
PNG
(US9555022, Example 02.26)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C34H28F4N6O4/c35-25-7-1-21(2-8-25)13-30(45)39-26-9-3-22(4-10-26)24-6-12-29-41-32(42-44(29)15-24)40-27-11-5-23(14-28(27)48-20-34(36,37)38)31(46)43-16-33(17-43)18-47-19-33/h1-12,14-15H,13,16-20H2,(H,39,45)(H,40,42)
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MMDB

KEGG

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PC cid
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US Patent
n/an/a<1n/an/an/an/a7.7n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

US Patent US9555022 (2017)


BindingDB Entry DOI: 10.7270/Q25H7J86
More data for this
Ligand-Target Pair