Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3 [256-363]' and Ligand = 'BDBM205389'   

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
Baculoviral IAP repeat-containing protein 3 [256-363] (Homo sapiens (Human))	BDBM205389 (US9249151, 35) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3ccccc3cn2)n1)-c1c(C)ccc2ncccc12 Show InChI InChI=1S/C29H26N6O2/c1-17-10-11-23-22(9-6-12-31-23)27(17)21-14-25(34-28(36)18(2)30-3)33-26(15-21)35-29(37)24-13-19-7-4-5-8-20(19)16-32-24/h4-16,18,30H,1-3H3,(H2,33,34,35,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
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