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)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C

InChI Key: InChIKey=BOHYEMVPKFXRSG-OPNQBICOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312979   

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))	BDBM312979 (US9605022, Example 13) 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)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C89H111N17O18/c1-50(90-9)78(112)97-76(88(3,4)5)85(119)103-35-32-70-74(103)83(117)94-68(42-55-20-26-57-16-12-14-18-59(57)38-55)82(116)95-69(87(121)122)41-53-23-29-66(30-24-53)124-49-62-47-106(102-100-62)71-33-36-104(86(120)77(89(6,7)8)98-79(113)51(2)91-10)75(71)84(118)96-72(109)43-60(39-54-19-25-56-15-11-13-17-58(56)37-54)80(114)93-67(81(115)92-34-31-63(107)44-64(108)45-73(110)111)40-52-21-27-65(28-22-52)123-48-61-46-105(70)101-99-61/h11-30,37-38,46-47,50-51,60,63-64,67-71,74-77,90-91,107-108H,31-36,39-45,48-49H2,1-10H3,(H,92,115)(H,93,114)(H,94,117)(H,95,116)(H,97,112)(H,98,113)(H,110,111)(H,121,122)(H,96,109,118)/t50-,51-,60+,63+,64+,67-,68-,69-,70+,71+,74-,75-,76+,77+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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))	BDBM312979 (US9605022, Example 13) 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)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C89H111N17O18/c1-50(90-9)78(112)97-76(88(3,4)5)85(119)103-35-32-70-74(103)83(117)94-68(42-55-20-26-57-16-12-14-18-59(57)38-55)82(116)95-69(87(121)122)41-53-23-29-66(30-24-53)124-49-62-47-106(102-100-62)71-33-36-104(86(120)77(89(6,7)8)98-79(113)51(2)91-10)75(71)84(118)96-72(109)43-60(39-54-19-25-56-15-11-13-17-58(56)37-54)80(114)93-67(81(115)92-34-31-63(107)44-64(108)45-73(110)111)40-52-21-27-65(28-22-52)123-48-61-46-105(70)101-99-61/h11-30,37-38,46-47,50-51,60,63-64,67-71,74-77,90-91,107-108H,31-36,39-45,48-49H2,1-10H3,(H,92,115)(H,93,114)(H,94,117)(H,95,116)(H,97,112)(H,98,113)(H,110,111)(H,121,122)(H,96,109,118)/t50-,51-,60+,63+,64+,67-,68-,69-,70+,71+,74-,75-,76+,77+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	12.8	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