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 = 'BDBM345180'   

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))	BDBM345180 (US9783573, Example 30) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(CO[C@@H]2CCN([C@@H](C2)C(=O)NC2CCCc3ccccc23)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(C)(C)C |r| Show InChI InChI=1S/C59H83N9O8/c1-35(60-9)51(69)65-49(58(3,4)5)56(74)67-30-29-42(32-48(67)55(73)64-46-24-16-20-39-18-12-14-22-44(39)46)76-34-37-25-27-40(28-26-37)53(71)62-41-31-47(54(72)63-45-23-15-19-38-17-11-13-21-43(38)45)68(33-41)57(75)50(59(6,7)8)66-52(70)36(2)61-10/h11-14,17-18,21-22,25-28,35-36,41-42,45-50,60-61H,15-16,19-20,23-24,29-34H2,1-10H3,(H,62,71)(H,63,72)(H,64,73)(H,65,69)(H,66,70)/t35-,36-,41?,42+,45?,46?,47-,48-,49+,50+/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	38	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 N-His-Tb-BIR3 (241-356...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair