Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM345170'   

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/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345170 (US9783573, Example 20) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc2sc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C64H81N11O8S/c1-35(65-9)54(76)71-52(63(3,4)5)60(82)74-33-42-29-40(26-25-39(42)31-49(74)58(80)68-46-23-15-19-37-17-11-13-21-44(37)46)57(79)73-62-70-48-30-41(27-28-51(48)84-62)56(78)67-43-32-50(59(81)69-47-24-16-20-38-18-12-14-22-45(38)47)75(34-43)61(83)53(64(6,7)8)72-55(77)36(2)66-10/h11-14,17-18,21-22,25-30,35-36,43,46-47,49-50,52-53,65-66H,15-16,19-20,23-24,31-34H2,1-10H3,(H,67,78)(H,68,80)(H,69,81)(H,71,76)(H,72,77)(H,70,73,79)/t35-,36-,43-,46?,47?,49-,50-,52+,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair