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 = 'BDBM345207'   

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))	BDBM345207 (US9783573, Example 57) 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)SC)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8S/c1-36(64-8)54(74)70-52(62(3,4)5)60(80)73-35-45(33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-27-25-40(26-28-41)56(76)66-44-30-29-42-32-50(58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)72(34-43(42)31-44)61(81)53(63(6,7)82-10)71-55(75)37(2)65-9/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45?,48+,49?,50?,51-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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