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Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM312969'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM312969
PNG
(US9605022, Example 4)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@@H](CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@@H](CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]12)C(O)=O)C(O)=O)C(C)(C)C |r|
Show InChI InChI=1S/C70H92N16O14/c1-39(71-9)59(87)77-57(69(3,4)5)65(93)83-29-25-53-55(83)63(91)75-49(33-41-19-21-43-15-11-13-17-45(43)31-41)61(89)73-27-23-52(68(97)98)86-36-48(80-82-86)38-100-54-26-30-84(66(94)58(70(6,7)8)78-60(88)40(2)72-10)56(54)64(92)76-50(34-42-20-22-44-16-12-14-18-46(44)32-42)62(90)74-28-24-51(67(95)96)85-35-47(37-99-53)79-81-85/h11-22,31-32,35-36,39-40,49-58,71-72H,23-30,33-34,37-38H2,1-10H3,(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,87)(H,78,88)(H,95,96)(H,97,98)/t39-,40-,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+/m0/s1
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US Patent
n/an/a 57.8n/an/an/an/an/an/a



Ensemble Therapeutics Corporation

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 US9605022 (2017)


BindingDB Entry DOI: 10.7270/Q2959KMN
More data for this
Ligand-Target Pair