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SMILES: COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)NC1COC1

InChI Key: InChIKey=BXQXVSGCWOFPPB-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 = 228285   
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))		BDBM228285
PNG
(US9555022, Example 02.21)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)NC1COC1
Show InChI InChI=1S/C31H27FN6O4/c1-41-27-15-21(30(40)34-25-17-42-18-25)6-12-26(27)35-31-36-28-13-7-22(16-38(28)37-31)20-4-10-24(11-5-20)33-29(39)14-19-2-8-23(32)9-3-19/h2-13,15-16,25H,14,17-18H2,1H3,(H,33,39)(H,34,40)(H,35,37)
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KEGG

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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