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SMILES: CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12

InChI Key: InChIKey=LPXOXGUTKLCSFF-UHFFFAOYSA-N

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 = 236725   
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))		BDBM236725
PNG
(US9388140, 67)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C25H21F5N4O2/c1-14-10-15(6-7-17(14)24(35)31-2)34-13-33-23-19(32-9-8-25(28,29)30)11-16(12-20(23)34)36-21-5-3-4-18(26)22(21)27/h3-7,10-13,32H,8-9H2,1-2H3,(H,31,35)
PDB
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.722



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 US9388140 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01QF
More data for this
Ligand-Target Pair