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BDBM228388 US9555022, Example 12.01

SMILES: COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2F)c(C)c1)N1CCOC1=O

InChI Key: InChIKey=HKLRDRRVDJFQBY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228388   
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))		BDBM228388
PNG
(US9555022, Example 12.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2F)c(C)c1)N1CCOC1=O
Show InChI InChI=1S/C31H26F2N6O4/c1-18-13-19(4-8-24(18)29(40)34-16-20-3-6-22(32)14-25(20)33)21-5-10-28-36-30(37-39(28)17-21)35-26-9-7-23(15-27(26)42-2)38-11-12-43-31(38)41/h3-10,13-15,17H,11-12,16H2,1-2H3,(H,34,40)(H,35,37)
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KEGG

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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