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BDBM228365 US9555022, Example 04.30

SMILES: Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1

InChI Key: InChIKey=XFMFDJNDRWJMHL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228365   
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))		BDBM228365
PNG
(US9555022, Example 04.30)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C33H26F4N6O4/c34-25-9-1-20(2-10-25)14-38-29(44)22-5-3-21(4-6-22)24-8-12-28-40-31(41-43(28)15-24)39-26-11-7-23(13-27(26)47-33(35,36)37)30(45)42-16-32(17-42)18-46-19-32/h1-13,15H,14,16-19H2,(H,38,44)(H,39,41)
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.7n/a



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 US9555022 (2017)


BindingDB Entry DOI: 10.7270/Q25H7J86
More data for this
Ligand-Target Pair