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SMILES: CC(C)(C)OC(=O)NCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccncc1

InChI Key: InChIKey=ZORPBBYSVUXAPM-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 = 213809   
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))		BDBM213809
PNG
(US9284317, 2-1)
Show SMILES CC(C)(C)OC(=O)NCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccncc1
Show InChI InChI=1S/C29H33N7O3/c1-29(2,3)39-28(38)32-14-4-13-31-25-26-33-17-24(36(26)18-23(35-25)19-11-15-30-16-12-19)20-5-7-21(8-6-20)27(37)34-22-9-10-22/h5-8,11-12,15-18,22H,4,9-10,13-14H2,1-3H3,(H,31,35)(H,32,38)(H,34,37)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/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