Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM345213'   

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 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345213 (N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) 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)SCC(=O)NCCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C66H87N11O10S/c1-38(67-8)57(80)74-55(65(3,4)5)63(86)77-36-47(34-53(77)62(85)73-51-23-15-19-41-17-11-13-21-49(41)51)71-60(83)43-26-24-42(25-27-43)59(82)70-46-29-28-44-33-52(61(84)72-50-22-14-18-40-16-10-12-20-48(40)50)76(35-45(44)32-46)64(87)56(75-58(81)39(2)68-9)66(6,7)88-37-54(79)69-30-31-78/h10-13,16-17,20-21,24-29,32,38-39,47,50-53,55-56,67-68,78H,14-15,18-19,22-23,30-31,33-37H2,1-9H3,(H,69,79)(H,70,82)(H,71,83)(H,72,84)(H,73,85)(H,74,80)(H,75,81)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5	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-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
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