Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM329361'   

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))	BDBM329361 (US9663510, Example comparitive example 4) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)C2(CC2)c2ccc(F)cc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C30H26FN5O4S/c1-40-26-17-24(41(2,38)39)12-13-25(26)33-29-34-27-14-5-20(18-36(27)35-29)19-3-10-23(11-4-19)32-28(37)30(15-16-30)21-6-8-22(31)9-7-21/h3-14,17-18H,15-16H2,1-2H3,(H,32,37)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM329361 (US9663510, Example comparitive example 4) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)C2(CC2)c2ccc(F)cc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C30H26FN5O4S/c1-40-26-17-24(41(2,38)39)12-13-25(26)33-29-34-27-14-5-20(18-36(27)35-29)19-3-10-23(11-4-19)32-28(37)30(15-16-30)21-6-8-22(31)9-7-21/h3-14,17-18H,15-16H2,1-2H3,(H,32,37)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of MPS1 in human HeLa cells assessed as reduction in spindle assembly checkpoint incubated for 4 hrs by p-histone H3/Hoechst 33342 stainin...				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))	BDBM329361 (US9663510, Example comparitive example 4) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)C2(CC2)c2ccc(F)cc2)cc1)S(C)(=O)=O Show InChI InChI=1S/C30H26FN5O4S/c1-40-26-17-24(41(2,38)39)12-13-25(26)33-29-34-27-14-5-20(18-36(27)35-29)19-3-10-23(11-4-19)32-28(37)30(15-16-30)21-6-8-22(31)9-7-21/h3-14,17-18H,15-16H2,1-2H3,(H,32,37)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+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