Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G]' and Ligand = 'BDBM242802'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G] (Artificial Organism)	BDBM242802 (US9422331, 23) Show SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O |r| Show InChI InChI=1S/C33H39N5O4/c1-20(34-3)31(39)36-30-21(2)38(32(40)23-14-16-42-17-15-23)29-11-7-6-10-28(29)37(33(30)41)19-26-24-8-4-5-9-27(24)35-18-25(26)22-12-13-22/h4-11,18,20-23,30,34H,12-17,19H2,1-3H3,(H,36,39)/t20-,21-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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
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