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SMILES: CCOc1ncccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)NC(=O)Cc1ccc(F)cc1

InChI Key: InChIKey=QHGIFCDXRHESMM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 190803   
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))		BDBM190803
PNG
(US9670202, Example04.03 N-(1-{2-[(2-ethoxypyridin-...)
Show SMILES CCOc1ncccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7O2/c1-2-36-25-22(4-3-13-28-25)30-26-31-23-10-9-21(17-34(23)32-26)33-14-11-20(12-15-33)29-24(35)16-18-5-7-19(27)8-6-18/h3-10,13,17,20H,2,11-12,14-16H2,1H3,(H,29,35)(H,30,32)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.28E+4n/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