Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitotic checkpoint serine/threonine-protein kinase BUB1' and Ligand = 'BDBM379041'   

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))	BDBM379041 ((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...) Show SMILES OC[C@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12 |r| Show InChI InChI=1S/C26H23FN6O3/c27-21-7-3-1-5-17(21)14-33-22-8-4-2-6-20(22)24(32-33)26-29-13-23(36-16-19(35)15-34)25(31-26)30-18-9-11-28-12-10-18/h1-13,19,34-35H,14-16H2,(H,28,29,30,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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))	BDBM379041 ((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...) Show SMILES OC[C@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12 |r| Show InChI InChI=1S/C26H23FN6O3/c27-21-7-3-1-5-17(21)14-33-22-8-4-2-6-20(22)24(32-33)26-29-13-23(36-16-19(35)15-34)25(31-26)30-18-9-11-28-12-10-18/h1-13,19,34-35H,14-16H2,(H,28,29,30,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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