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 = 'BDBM345189'   

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))	BDBM345189 (((S)-7-((4-(((3S,5S)-1-((S)-3,3- Dimethyl-2-((S)-2...) Show SMILES CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(cc3)C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)ccc2C[C@H]1C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C64H85N9O8/c1-11-66-39(3)57(75)71-54(63(4,5)6)61(79)72-35-45-32-47(31-30-44(45)33-52(72)59(77)68-50-24-16-20-41-18-12-14-22-48(41)50)81-37-40-26-28-43(29-27-40)58(76)67-46-34-53(60(78)69-51-25-17-21-42-19-13-15-23-49(42)51)73(36-46)62(80)55(64(7,8)9)70-56(74)38(2)65-10/h12-15,18-19,22-23,26-32,38-39,46,50-55,65-66H,11,16-17,20-21,24-25,33-37H2,1-10H3,(H,67,76)(H,68,77)(H,69,78)(H,70,74)(H,71,75)/t38-,39-,46?,50?,51?,52-,53-,54+,55+/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	89	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