Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3' and Ligand = 'BDBM50316636'   

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 (Homo sapiens (Human))	BDBM50316636 ((2S,2'S)-N,N'-((6S,12S,14aS,20S,26S,28aS)-12,26-di...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C46H66N10O8/c1-29(47-3)39(57)51-33-19-11-23-49-41(59)35(27-31-15-7-5-8-16-31)54-44(62)38-22-14-26-56(38)46(64)34(52-40(58)30(2)48-4)20-12-24-50-42(60)36(28-32-17-9-6-10-18-32)53-43(61)37-21-13-25-55(37)45(33)63/h5-10,15-18,29-30,33-38,47-48H,11-14,19-28H2,1-4H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t29-,30-,33-,34-,35-,36-,37-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to cIAP2 BIR3 domain by fluorescence polarization assay				Bioorg Med Chem Lett 20: 3043-6 (2010) BindingDB Entry DOI: 10.7270/Q2DF6RC4
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