Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213807'   

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))	BDBM213807 (US9284317, 1-19) Show SMILES C\C=C(/C)c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(C)c1 Show InChI InChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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))	BDBM213807 (US9284317, 1-19) Show SMILES C\C=C(/C)c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(C)c1 Show InChI InChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.7	22
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 US9284317 (2016) BindingDB Entry DOI: 10.7270/Q2HM5799
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM213807 (US9284317, 1-19) Show SMILES C\C=C(/C)c1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(C(=O)NC2CC2)c(C)c1 Show InChI InChI=1S/C24H26F3N5O/c1-4-14(2)19-13-32-20(12-29-22(32)21(31-19)28-10-9-24(25,26)27)16-5-8-18(15(3)11-16)23(33)30-17-6-7-17/h4-5,8,11-13,17H,6-7,9-10H2,1-3H3,(H,28,31)(H,30,33)/b14-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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