Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50401487'   

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 2 (Homo sapiens (Human))	BDBM50401487 (CHEMBL2204578) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCC#CC#CCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C73H94N10O8/c1-5-58(74-3)68(86)80-66-54(40-42-56-44-46-60(82(56)72(66)90)70(88)78-64(50-30-20-16-21-31-50)51-32-22-17-23-33-51)48-76-62(84)38-28-14-12-10-8-7-9-11-13-15-29-39-63(85)77-49-55-41-43-57-45-47-61(83(57)73(91)67(55)81-69(87)59(6-2)75-4)71(89)79-65(52-34-24-18-25-35-52)53-36-26-19-27-37-53/h16-27,30-37,54-61,64-67,74-75H,5-6,10,12-15,28-29,38-49H2,1-4H3,(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,86)(H,81,87)/t54-,55-,56+,57+,58+,59+,60+,61+,66+,67+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
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