Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM345196'   

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/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345196 (US9783573, Example 46) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Oc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H81N9O9/c1-36(64-9)54(73)69-52(62(3,4)5)59(78)71-34-43-31-45(30-29-42(43)32-50(71)57(76)67-48-23-15-19-38-17-11-13-21-46(38)48)81-61(80)41-27-25-40(26-28-41)56(75)66-44-33-51(58(77)68-49-24-16-20-39-18-12-14-22-47(39)49)72(35-44)60(79)53(63(6,7)8)70-55(74)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,44,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t36-,37-,44-,48+,49+,50-,51-,52+,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
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