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 = 'BDBM345187'   

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))	BDBM345187 ((2S,3R)-N1-((3S,5S)-5-((S)-3,3- dimethyl-2-((S)-2-...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)[C@@H]1CC(CN1C(=O)NC1CCCc2ccccc12)NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C65H88F6N10O8/c1-36(72-9)55(83)78-53(62(3,4)5)52(82)50-33-43(35-81(50)61(89)77-49-24-16-20-39-18-12-14-22-45(39)49)75-58(86)47(28-30-65(69,70)71)46(27-29-64(66,67)68)57(85)74-42-26-25-40-32-51(59(87)76-48-23-15-19-38-17-11-13-21-44(38)48)80(34-41(40)31-42)60(88)54(63(6,7)8)79-56(84)37(2)73-10/h11-14,17-18,21-22,25-26,31,36-37,43,46-51,53-54,72-73H,15-16,19-20,23-24,27-30,32-35H2,1-10H3,(H,74,85)(H,75,86)(H,76,87)(H,77,89)(H,78,83)(H,79,84)/t36-,37-,43?,46+,47-,48?,49?,50-,51-,53+,54+/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	110	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 N-His-Tb-BIR3 (241-356...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair