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

InChI Key: InChIKey=SKANGASYLQBXOR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 190357   
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))		BDBM190357
PNG
(US9670202, Example01.02 4-(2-{[4-(tert-butylcarbam...)
Show SMILES CC(C)(C)NC(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C31H34F4N8O3/c1-30(2,3)39-27(44)21-6-10-24(25(16-21)46-19-31(33,34)35)37-28-38-26-11-9-23(18-43(26)40-28)41-12-14-42(15-13-41)29(45)36-17-20-4-7-22(32)8-5-20/h4-11,16,18H,12-15,17,19H2,1-3H3,(H,36,45)(H,37,40)(H,39,44)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.60E+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