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BDBM329351 (2S)—N-{4-[2-({4-[(3-fluoroazetidin-1-yl)carbonyl]-2-(2,2,2-trifluoroethoxyl)phenyl}amino)[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl}-2-(4-fluorophenyl)-3-hydroxypropanamide::US9663510, Example 01.18

SMILES: OC[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(F)C3)nn2c1)c1ccc(F)cc1

InChI Key: InChIKey=ZHKKTVQQLBWUBH-AREMUKBSSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329351   
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))		BDBM329351
PNG
((2S)—N-{4-[2-({4-[(3-fluoroazetidin-1-yl)carb...)
Show SMILES OC[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(F)C3)nn2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H27F5N6O4/c34-23-7-1-20(2-8-23)26(17-45)30(46)39-25-9-3-19(4-10-25)22-6-12-29-41-32(42-44(29)14-22)40-27-11-5-21(31(47)43-15-24(35)16-43)13-28(27)48-18-33(36,37)38/h1-14,24,26,45H,15-18H2,(H,39,46)(H,40,42)/t26-/m1/s1
PDB
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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