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 = 'BDBM345208'   

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))	BDBM345208 (US9783573, Example 58) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2CC(N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N1CCCCC1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C69H91N11O9S/c1-41(70-8)60(82)76-58(68(3,4)5)66(88)80-39-50(37-56(80)65(87)75-54-26-18-22-44-20-12-14-24-52(44)54)73-63(85)46-29-27-45(28-30-46)62(84)72-49-32-31-47-36-55(64(86)74-53-25-17-21-43-19-11-13-23-51(43)53)79(38-48(47)35-49)67(89)59(77-61(83)42(2)71-9)69(6,7)90-40-57(81)78-33-15-10-16-34-78/h11-14,19-20,23-24,27-32,35,41-42,50,53-56,58-59,70-71H,10,15-18,21-22,25-26,33-34,36-40H2,1-9H3,(H,72,84)(H,73,85)(H,74,86)(H,75,87)(H,76,82)(H,77,83)/t41-,42-,50?,53+,54?,55?,56-,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	27	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