null

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)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=QTFUECSQPZFYEM-JQPLRMHWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312972   

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))	BDBM312972 (US9605022, Example 7) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)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/C81H98N14O13/c1-47(82-9)72(97)86-70(80(3,4)5)76(101)92-34-32-65-68(92)62(39-52-21-27-54-17-13-15-19-56(54)37-52)75(100)84-63(78(103)104)40-49-22-28-60(29-23-49)108-46-59-44-95(91-89-59)66-33-35-93(77(102)71(81(6,7)8)87-73(98)48(2)83-10)69(66)67(96)42-57(38-51-20-26-53-16-12-14-18-55(53)36-51)74(99)85-64(79(105)106-11)41-50-24-30-61(31-25-50)107-45-58-43-94(65)90-88-58/h12-31,36-37,43-44,47-48,57,62-66,68-71,82-83H,32-35,38-42,45-46H2,1-11H3,(H,84,100)(H,85,99)(H,86,97)(H,87,98)(H,103,104)/t47-,48-,57+,62+,63-,64-,65+,66+,68+,69-,70+,71+/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	6.5	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))	BDBM312972 (US9605022, Example 7) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)OC)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/C81H98N14O13/c1-47(82-9)72(97)86-70(80(3,4)5)76(101)92-34-32-65-68(92)62(39-52-21-27-54-17-13-15-19-56(54)37-52)75(100)84-63(78(103)104)40-49-22-28-60(29-23-49)108-46-59-44-95(91-89-59)66-33-35-93(77(102)71(81(6,7)8)87-73(98)48(2)83-10)69(66)67(96)42-57(38-51-20-26-53-16-12-14-18-55(53)36-51)74(99)85-64(79(105)106-11)41-50-24-30-61(31-25-50)107-45-58-43-94(65)90-88-58/h12-31,36-37,43-44,47-48,57,62-66,68-71,82-83H,32-35,38-42,45-46H2,1-11H3,(H,84,100)(H,85,99)(H,86,97)(H,87,98)(H,103,104)/t47-,48-,57+,62+,63-,64-,65+,66+,68+,69-,70+,71+/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	29	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