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 = 'BDBM50030278'   

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))	BDBM50030278 (CHEMBL3339215 | US9783573, Example 38) 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(COc2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(C)(C)C |r| Show InChI InChI=1S/C63H83N9O8/c1-37(64-9)55(73)69-53(62(3,4)5)60(78)71-34-44-31-46(30-29-43(44)32-51(71)58(76)67-49-23-15-19-40-17-11-13-21-47(40)49)80-36-39-25-27-42(28-26-39)57(75)66-45-33-52(59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)72(35-45)61(79)54(63(6,7)8)70-56(74)38(2)65-10/h11-14,17-18,21-22,25-31,37-38,45,49-54,64-65H,15-16,19-20,23-24,32-36H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t37-,38-,45-,49+,50+,51-,52-,53+,54+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	16	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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