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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 = 'BDBM329348'   
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))		BDBM329348
PNG
((2R)-2-(4-fluorophenyl)-N-{4-[2-({4-[(3-hydroxyaze...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(O)C3)nn2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H28F4N6O4/c1-19(20-2-8-24(34)9-3-20)30(45)38-25-10-4-21(5-11-25)23-7-13-29-40-32(41-43(29)15-23)39-27-12-6-22(31(46)42-16-26(44)17-42)14-28(27)47-18-33(35,36)37/h2-15,19,26,44H,16-18H2,1H3,(H,38,45)(H,39,41)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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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