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SMILES: CC(C)(C)OC(=O)NCC#CCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1

InChI Key: InChIKey=JSCQAJABUJWLQU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213810   
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))		BDBM213810
PNG
(US9284317, 2-2)
Show SMILES CC(C)(C)OC(=O)NCC#CCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C32H34N6O3/c1-32(2,3)41-31(40)34-19-9-5-8-18-33-28-29-35-20-27(38(29)21-26(37-28)22-10-6-4-7-11-22)23-12-14-24(15-13-23)30(39)36-25-16-17-25/h4,6-7,10-15,20-21,25H,8,16-19H2,1-3H3,(H,33,37)(H,34,40)(H,36,39)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 94.6n/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 US9284317 (2016)


BindingDB Entry DOI: 10.7270/Q2HM5799
More data for this
Ligand-Target Pair