Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50401488'   

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))	BDBM50401488 (CHEMBL2204579) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCc2cn(CCCCc3ccc(CCCCn4cc(CCCCC(=O)NC[C@H]5CC[C@H]6CC[C@H](N6C(=O)[C@H]5NC(=O)[C@H](CC)NC)C(=O)NC(c5ccccc5)c5ccccc5)nn4)cc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C86H114N16O8/c1-5-71(87-3)81(105)93-79-65(45-47-69-49-51-73(101(69)85(79)109)83(107)91-77(61-29-11-7-12-30-61)62-31-13-8-14-32-62)55-89-75(103)39-21-19-37-67-57-99(97-95-67)53-25-23-27-59-41-43-60(44-42-59)28-24-26-54-100-58-68(96-98-100)38-20-22-40-76(104)90-56-66-46-48-70-50-52-74(102(70)86(110)80(66)94-82(106)72(6-2)88-4)84(108)92-78(63-33-15-9-16-34-63)64-35-17-10-18-36-64/h7-18,29-36,41-44,57-58,65-66,69-74,77-80,87-88H,5-6,19-28,37-40,45-56H2,1-4H3,(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,105)(H,94,106)/t65-,66-,69+,70+,71+,72+,73+,74+,79+,80+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	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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