null

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)OC)C(C)(C)C

InChI Key: InChIKey=BAODQHPEQZHMBP-ZLUOGFKFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312975   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312975 (US9605022, Example 9) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)OC)C(C)(C)C |r| Show InChI InChI=1S/C90H105F2N17O15/c1-50(93-9)79(112)100-77(89(3,4)5)86(119)106-34-32-71-74(106)84(117)97-69(43-55-21-27-58-17-13-15-19-60(58)37-55)83(116)98-70(88(121)122-11)42-53-24-30-65(31-25-53)124-49-63-47-109(105-103-63)72-33-35-107(87(120)78(90(6,7)8)101-80(113)51(2)94-10)75(72)85(118)99-73(110)44-61(38-54-20-26-57-16-12-14-18-59(57)36-54)81(114)96-68(82(115)95-45-56-39-66(91)76(111)67(92)40-56)41-52-22-28-64(29-23-52)123-48-62-46-108(71)104-102-62/h12-31,36-37,39-40,46-47,50-51,61,68-72,74-75,77-78,93-94,111H,32-35,38,41-45,48-49H2,1-11H3,(H,95,115)(H,96,114)(H,97,117)(H,98,116)(H,100,112)(H,101,113)(H,99,110,118)/t50-,51-,61+,68-,69-,70-,71+,72+,74-,75-,77+,78+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation 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 US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312975 (US9605022, Example 9) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(=O)OC)C(C)(C)C |r| Show InChI InChI=1S/C90H105F2N17O15/c1-50(93-9)79(112)100-77(89(3,4)5)86(119)106-34-32-71-74(106)84(117)97-69(43-55-21-27-58-17-13-15-19-60(58)37-55)83(116)98-70(88(121)122-11)42-53-24-30-65(31-25-53)124-49-63-47-109(105-103-63)72-33-35-107(87(120)78(90(6,7)8)101-80(113)51(2)94-10)75(72)85(118)99-73(110)44-61(38-54-20-26-57-16-12-14-18-59(57)36-54)81(114)96-68(82(115)95-45-56-39-66(91)76(111)67(92)40-56)41-52-22-28-64(29-23-52)123-48-62-46-108(71)104-102-62/h12-31,36-37,39-40,46-47,50-51,61,68-72,74-75,77-78,93-94,111H,32-35,38,41-45,48-49H2,1-11H3,(H,95,115)(H,96,114)(H,97,117)(H,98,116)(H,100,112)(H,101,113)(H,99,110,118)/t50-,51-,61+,68-,69-,70-,71+,72+,74-,75-,77+,78+/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	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation 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 US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair