Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM329353'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM329353 ((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[2-methox...) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)N1CCOC1=O |r| Show InChI InChI=1S/C30H26FN7O4/c1-41-25-16-23(37-14-15-42-30(37)40)11-12-24(25)34-29-35-26-13-6-20(17-38(26)36-29)18-4-9-22(10-5-18)33-28(39)27(32)19-2-7-21(31)8-3-19/h2-13,16-17,27H,14-15,32H2,1H3,(H,33,39)(H,34,36)/t27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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
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