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 = 'BDBM345215'   

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))	BDBM345215 (N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) 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(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C64H84N10O9S/c1-37(65-8)55(76)71-53(63(3,4)5)61(82)74-36-46(34-52(74)60(81)70-50-23-15-19-40-17-11-13-21-48(40)50)68-58(79)42-26-24-41(25-27-42)57(78)67-45-29-28-43-33-51(59(80)69-49-22-14-18-39-16-10-12-20-47(39)49)73(35-44(43)32-45)62(83)54(64(6,7)84-31-30-75)72-56(77)38(2)66-9/h10-13,16-17,20-21,24-29,32,37-38,46,49-54,65-66,75H,14-15,18-19,22-23,30-31,33-36H2,1-9H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,76)(H,72,77)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/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
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