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)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(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=MBKNBOLIPVRUSC-YZMHPAFASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312966   

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))	BDBM312966 (US9605022, Example 1) 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)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(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/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/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	1.10	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))	BDBM312966 (US9605022, Example 1) 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)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(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/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/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	4.90	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