Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM236667'   

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))	BDBM236667 (US9388140, 8) Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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))	BDBM236667 (US9388140, 8) Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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 US9388140 (2016) BindingDB Entry DOI: 10.7270/Q2BP01QF
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM236667 (US9388140, 8) Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	292	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))	BDBM236667 (US9388140, 8) Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+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