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SMILES: CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC(F)(F)F)c1

InChI Key: InChIKey=STIYLRUQCSIGRT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 190398   
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))		BDBM190398
PNG
(US9670202, Example01.09 4-(2-{[4-(diethylcarbamoyl...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C31H34F4N8O3/c1-3-40(4-2)28(44)22-7-11-25(26(17-22)46-20-31(33,34)35)37-29-38-27-12-10-24(19-43(27)39-29)41-13-15-42(16-14-41)30(45)36-18-21-5-8-23(32)9-6-21/h5-12,17,19H,3-4,13-16,18,20H2,1-2H3,(H,36,45)(H,37,39)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/a7.7n/a



BAYER PHARMA AKTIENGESELLSCHAFT

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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair