null

SMILES: CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N

InChI Key: InChIKey=VKAPUENCVUDUAS-IHPVIADISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242824   

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
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM242824 (US9422331, 53) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C33H32N8O5S/c1-20(36-3)32(43)37-31-21(2)40(30(42)19-47(4,45)46)29-15-22(16-34)13-14-28(29)39(33(31)44)18-25-24-10-6-8-12-27(24)41(38-25)26-11-7-5-9-23(26)17-35/h5-15,20-21,31,36H,18-19H2,1-4H3,(H,37,43)/t20-,21-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.48E+4	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242824 (US9422331, 53) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N |r| Show InChI InChI=1S/C33H32N8O5S/c1-20(36-3)32(43)37-31-21(2)40(30(42)19-47(4,45)46)29-15-22(16-34)13-14-28(29)39(33(31)44)18-25-24-10-6-8-12-27(24)41(38-25)26-11-7-5-9-23(26)17-35/h5-15,20-21,31,36H,18-19H2,1-4H3,(H,37,43)/t20-,21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	37
HOFFMANN-LA ROCHE INC. US Patent					Assay Description The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...				US Patent US9422331 (2016) BindingDB Entry DOI: 10.7270/Q2736PT4
					More data for this Ligand-Target Pair