null

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(=O)NS(C)(=O)=O)C(=O)NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=FJGQHCYSBKZATB-ZSHHDKMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312970   

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))	BDBM312970 (US9605022, Example 5) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(=O)NS(C)(=O)=O)C(=O)NS(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C74H102N18O16S2/c1-43(75-9)63(93)81-61(73(3,4)5)71(101)89-33-29-57-59(89)69(99)79-53(37-45-25-27-47-19-13-15-21-49(47)35-45)65(95)77-31-17-23-56(68(98)86-110(12,105)106)92-40-52(84-88-92)42-108-58-30-34-90(72(102)62(74(6,7)8)82-64(94)44(2)76-10)60(58)70(100)80-54(38-46-26-28-48-20-14-16-22-50(48)36-46)66(96)78-32-18-24-55(67(97)85-109(11,103)104)91-39-51(41-107-57)83-87-91/h13-16,19-22,25-28,35-36,39-40,43-44,53-62,75-76H,17-18,23-24,29-34,37-38,41-42H2,1-12H3,(H,77,95)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,94)(H,85,97)(H,86,98)/t43-,44-,53-,54-,55-,56-,57+,58+,59-,60-,61+,62+/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	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-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))	BDBM312970 (US9605022, Example 5) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(=O)NS(C)(=O)=O)C(=O)NS(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C74H102N18O16S2/c1-43(75-9)63(93)81-61(73(3,4)5)71(101)89-33-29-57-59(89)69(99)79-53(37-45-25-27-47-19-13-15-21-49(47)35-45)65(95)77-31-17-23-56(68(98)86-110(12,105)106)92-40-52(84-88-92)42-108-58-30-34-90(72(102)62(74(6,7)8)82-64(94)44(2)76-10)60(58)70(100)80-54(38-46-26-28-48-20-14-16-22-50(48)36-46)66(96)78-32-18-24-55(67(97)85-109(11,103)104)91-39-51(41-107-57)83-87-91/h13-16,19-22,25-28,35-36,39-40,43-44,53-62,75-76H,17-18,23-24,29-34,37-38,41-42H2,1-12H3,(H,77,95)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,94)(H,85,97)(H,86,98)/t43-,44-,53-,54-,55-,56-,57+,58+,59-,60-,61+,62+/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	51	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