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SMILES: CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C(=O)N1CCOCC1

InChI Key: InChIKey=LHCVGUISUCFJLA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228387   
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))		BDBM228387
PNG
(US9555022, Example 11.02)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H30FN7O4/c1-2-44-27-18-22(31(42)39-13-15-43-16-14-39)5-10-26(27)35-32-37-29-12-7-24(20-40(29)38-32)23-6-11-28(34-19-23)36-30(41)17-21-3-8-25(33)9-4-21/h3-12,18-20H,2,13-17H2,1H3,(H,35,38)(H,34,36,41)
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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