Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50401478'   

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))	BDBM50401478 (CHEMBL2204568) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCc1cn(C[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C66H93N13O12/c1-5-51(67-3)60(82)73-58-46(22-25-49-27-29-53(78(49)65(58)87)62(84)71-56(43-16-10-7-11-17-43)44-18-12-8-13-19-44)40-77-41-48(75-76-77)24-31-55(81)69-32-34-89-36-38-91-39-37-90-35-33-70-64(86)57(45-20-14-9-15-21-45)72-63(85)54-30-28-50-26-23-47(42-80)59(66(88)79(50)54)74-61(83)52(6-2)68-4/h7-21,41,46-47,49-54,56-59,67-68,80H,5-6,22-40,42H2,1-4H3,(H,69,81)(H,70,86)(H,71,84)(H,72,85)(H,73,82)(H,74,83)/t46-,47-,49+,50+,51+,52+,53+,54+,57+,58+,59+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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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