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 = 'BDBM345210'   

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))	BDBM345210 (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)SCC(=O)Nc1nccs1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C67H84N12O9S2/c1-38(68-8)57(81)76-55(66(3,4)5)63(87)79-36-47(34-53(79)62(86)74-51-23-15-19-41-17-11-13-21-49(41)51)72-60(84)43-26-24-42(25-27-43)59(83)71-46-29-28-44-33-52(61(85)73-50-22-14-18-40-16-10-12-20-48(40)50)78(35-45(44)32-46)64(88)56(77-58(82)39(2)69-9)67(6,7)90-37-54(80)75-65-70-30-31-89-65/h10-13,16-17,20-21,24-32,38-39,47,50-53,55-56,68-69H,14-15,18-19,22-23,33-37H2,1-9H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,76,81)(H,77,82)(H,70,75,80)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/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	42	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