Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50542556'   

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))	BDBM50542556 (CHEMBL4634241) Show SMILES FC(F)(F)CC(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccccc3C#N)nn2c1 Show InChI InChI=1S/C22H15F3N6O/c23-22(24,25)11-20(32)27-17-8-5-14(6-9-17)16-7-10-19-29-21(30-31(19)13-16)28-18-4-2-1-3-15(18)12-26/h1-10,13H,11H2,(H,27,32)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...				J Med Chem 63: 8025-8042 (2020) Article DOI: 10.1021/acs.jmedchem.9b02035 BindingDB Entry DOI: 10.7270/Q2MP56VP
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50542556 (CHEMBL4634241) Show SMILES FC(F)(F)CC(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccccc3C#N)nn2c1 Show InChI InChI=1S/C22H15F3N6O/c23-22(24,25)11-20(32)27-17-8-5-14(6-9-17)16-7-10-19-29-21(30-31(19)13-16)28-18-4-2-1-3-15(18)12-26/h1-10,13H,11H2,(H,27,32)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...				J Med Chem 63: 8025-8042 (2020) Article DOI: 10.1021/acs.jmedchem.9b02035 BindingDB Entry DOI: 10.7270/Q2MP56VP
					More data for this Ligand-Target Pair