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 = 'BDBM345212'   

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))	BDBM345212 (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)N(C)Cc1cccc(F)c1)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C72H90FN11O9S/c1-42(74-8)63(86)80-61(71(3,4)5)69(92)84-40-53(37-59(84)68(91)79-57-27-17-22-46-20-12-14-25-55(46)57)77-66(89)48-30-28-47(29-31-48)65(88)76-52-33-32-49-36-58(67(90)78-56-26-16-21-45-19-11-13-24-54(45)56)83(39-50(49)35-52)70(93)62(81-64(87)43(2)75-9)72(6,7)94-41-60(85)82(10)38-44-18-15-23-51(73)34-44/h11-15,18-20,23-25,28-35,42-43,53,56-59,61-62,74-75H,16-17,21-22,26-27,36-41H2,1-10H3,(H,76,88)(H,77,89)(H,78,90)(H,79,91)(H,80,86)(H,81,87)/t42-,43-,53-,56+,57+,58-,59-,61+,62+/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	73	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