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 = 'BDBM345175'   

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))	BDBM345175 ((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)c1ccc(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C Show InChI InChI=1S/C63H83N11O8/c1-36(64-9)54(75)71-52(62(3,4)5)60(81)73-34-43-29-41(26-25-40(43)30-50(73)58(79)69-48-23-15-19-38-17-11-13-21-46(38)48)56(77)67-33-44-28-27-42(32-66-44)57(78)68-45-31-51(59(80)70-49-24-16-20-39-18-12-14-22-47(39)49)74(35-45)61(82)53(63(6,7)8)72-55(76)37(2)65-10/h11-14,17-18,21-22,25-29,32,36-37,45,48-53,64-65H,15-16,19-20,23-24,30-31,33-35H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/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	4	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