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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 = 'BDBM329349'   
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))		BDBM329349
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[4-(pyrrolidin-1-...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CCCC3)nn2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H30F4N6O3/c1-21(22-4-10-26(35)11-5-22)31(45)39-27-12-6-23(7-13-27)25-9-15-30-41-33(42-44(30)19-25)40-28-14-8-24(32(46)43-16-2-3-17-43)18-29(28)47-20-34(36,37)38/h4-15,18-19,21H,2-3,16-17,20H2,1H3,(H,39,45)(H,40,42)/t21-/m1/s1
PDB
MMDB

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/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; 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 US9663510 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1N06
More data for this
Ligand-Target Pair