Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitotic checkpoint serine/threonine-protein kinase BUB1' and Ligand = 'BDBM379004'   

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
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM379004 (US10266548, Example 4-18 | US10266548, Example 4-2...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r| Show InChI InChI=1S/C30H27F2N7O3/c1-2-41-20-13-23(31)22(24(32)14-20)16-39-25-6-4-3-5-21(25)28(38-39)30-34-15-26(42-17-19-7-8-27(40)35-19)29(37-30)36-18-9-11-33-12-10-18/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,35,40)(H,33,34,36,37)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM379004 (US10266548, Example 4-18 | US10266548, Example 4-2...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r| Show InChI InChI=1S/C30H27F2N7O3/c1-2-41-20-13-23(31)22(24(32)14-20)16-39-25-6-4-3-5-21(25)28(38-39)30-34-15-26(42-17-19-7-8-27(40)35-19)29(37-30)36-18-9-11-33-12-10-18/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,35,40)(H,33,34,36,37)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM379004 (US10266548, Example 4-18 | US10266548, Example 4-2...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r| Show InChI InChI=1S/C30H27F2N7O3/c1-2-41-20-13-23(31)22(24(32)14-20)16-39-25-6-4-3-5-21(25)28(38-39)30-34-15-26(42-17-19-7-8-27(40)35-19)29(37-30)36-18-9-11-33-12-10-18/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,35,40)(H,33,34,36,37)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM379004 (US10266548, Example 4-18 | US10266548, Example 4-2...) Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r| Show InChI InChI=1S/C30H27F2N7O3/c1-2-41-20-13-23(31)22(24(32)14-20)16-39-25-6-4-3-5-21(25)28(38-39)30-34-15-26(42-17-19-7-8-27(40)35-19)29(37-30)36-18-9-11-33-12-10-18/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,35,40)(H,33,34,36,37)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...				J Med Chem 51: 4150-69 (2008) BindingDB Entry DOI: 10.7270/Q2RV0R1M
					More data for this Ligand-Target Pair