Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM345216'   

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
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345216 (N1-((S)-2-((R)-3-(((5-(tert-Butyl)oxazol-2-yl)meth...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCc1ncc(o1)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C70H91N11O9S/c1-40(71-11)60(82)78-58(69(6,7)8)66(88)81-38-49(35-55(81)65(87)77-53-26-18-22-43-20-14-16-24-51(43)53)75-63(85)45-29-27-44(28-30-45)62(84)74-48-32-31-46-34-54(64(86)76-52-25-17-21-42-19-13-15-23-50(42)52)80(37-47(46)33-48)67(89)59(79-61(83)41(2)72-12)70(9,10)91-39-57-73-36-56(90-57)68(3,4)5/h13-16,19-20,23-24,27-33,36,40-41,49,52-55,58-59,71-72H,17-18,21-22,25-26,34-35,37-39H2,1-12H3,(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,82)(H,79,83)/t40-,41-,49-,52+,53+,54-,55-,58+,59+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair