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BDBM329339 4-{[6-(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}phenyl)[1,2,4]triazolo-[1,5-a]pyridin-2-yl]amino}-3-(2,2,2-trifluoroethoxyl)benzamide::US9663510, Example 01.06

SMILES: C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(N)=O)nn2c1)c1ccc(F)cc1

InChI Key: InChIKey=HFTLHYKNYQMKDG-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329339   
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))		BDBM329339
PNG
(4-{[6-(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(N)=O)nn2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H24F4N6O3/c1-17(18-2-8-22(31)9-3-18)28(42)36-23-10-4-19(5-11-23)21-7-13-26-38-29(39-40(26)15-21)37-24-12-6-20(27(35)41)14-25(24)43-16-30(32,33)34/h2-15,17H,16H2,1H3,(H2,35,41)(H,36,42)(H,37,39)/t17-/m1/s1
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KEGG

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US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; 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 US9663510 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1N06
More data for this
Ligand-Target Pair