Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50464039'   

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))	BDBM50464039 (CHEMBL4245639) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1C Show InChI InChI=1S/C24H28N8O/c1-6-33-19-10-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-11-17-9-15(2)27-22(20(17)29-23)32-12-24(3,4)13-32/h7-11,14H,6,12-13H2,1-5H3,(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50464039 (CHEMBL4245639) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1C Show InChI InChI=1S/C24H28N8O/c1-6-33-19-10-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-11-17-9-15(2)27-22(20(17)29-23)32-12-24(3,4)13-32/h7-11,14H,6,12-13H2,1-5H3,(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50464039 (CHEMBL4245639) Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1C Show InChI InChI=1S/C24H28N8O/c1-6-33-19-10-16(21-30-26-14-31(21)5)7-8-18(19)28-23-25-11-17-9-15(2)27-22(20(17)29-23)32-12-24(3,4)13-32/h7-11,14H,6,12-13H2,1-5H3,(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of MPS1 autophosphorylation at Thr33/Ser37 in human HCT116 cells after 2 hrs by MSD assay				J Med Chem 61: 8226-8240 (2018) Article DOI: 10.1021/acs.jmedchem.8b00690 BindingDB Entry DOI: 10.7270/Q2J105S9
					More data for this Ligand-Target Pair