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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM141339'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM141339
PNG
(US8916577, 43)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-5-22-10-7-11-23(6-2)29(22)42-33(48)31-26-13-8-12-25-21-40-35(43-30(25)32(26)46(4)44-31)41-27-15-14-24(20-28(27)50-36(37,38)39)34(49)47-17-9-16-45(3)18-19-47/h7,10-11,14-15,20-21H,5-6,8-9,12-13,16-19H2,1-4H3,(H,42,48)(H,40,41,43)
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MMDB

KEGG

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Similars
US Patent
n/an/a 199n/an/an/an/a3.0n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...

US Patent US8916577 (2014)


BindingDB Entry DOI: 10.7270/Q25719RJ
More data for this
Ligand-Target Pair