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 = 'BDBM345206'   

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))	BDBM345206 (US9783573, Example 56) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=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)SCCOC=O)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H84N10O10S/c1-38(66-8)56(77)72-54(64(3,4)5)62(83)75-36-47(34-53(75)61(82)71-51-23-15-19-41-17-11-13-21-49(41)51)69-59(80)43-26-24-42(25-27-43)58(79)68-46-29-28-44-33-52(60(81)70-50-22-14-18-40-16-10-12-20-48(40)50)74(35-45(44)32-46)63(84)55(73-57(78)39(2)67-9)65(6,7)86-31-30-85-37-76/h10-13,16-17,20-21,24-29,32,37-39,47,50-55,66-67H,14-15,18-19,22-23,30-31,33-36H2,1-9H3,(H,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,77)(H,73,78)/t38-,39-,47-,50?,51+,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	12	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
					More data for this Ligand-Target Pair