Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM228352'   

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))	BDBM228352 (US9555022, Example 04.20) Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4F)C(=O)N4CC5(COC5)C4)nn3c2)cc1 Show InChI InChI=1S/C32H26F2N6O3/c33-25-9-1-20(2-10-25)14-35-29(41)22-5-3-21(4-6-22)24-8-12-28-37-31(38-40(28)15-24)36-27-11-7-23(13-26(27)34)30(42)39-16-32(17-39)18-43-19-32/h1-13,15H,14,16-19H2,(H,35,41)(H,36,38)	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	7.7	n/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
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