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 = 'BDBM345174'   

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))	BDBM345174 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) 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)c1cc2ccc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)cc2[nH]1)C(C)(C)C Show InChI InChI=1S/C65H83N11O8/c1-36(66-9)56(77)73-54(64(3,4)5)62(83)75-34-43-29-42(26-25-40(43)31-52(75)60(81)71-48-23-15-19-38-17-11-13-21-46(38)48)58(79)68-44-28-27-41-30-51(70-50(41)32-44)59(80)69-45-33-53(61(82)72-49-24-16-20-39-18-12-14-22-47(39)49)76(35-45)63(84)55(65(6,7)8)74-57(78)37(2)67-10/h11-14,17-18,21-22,25-30,32,36-37,45,48-49,52-55,66-67,70H,15-16,19-20,23-24,31,33-35H2,1-10H3,(H,68,79)(H,69,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t36-,37-,45-,48+,49+,52-,53-,54+,55+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	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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