BindingDB logo
myBDB logout
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 = 'BDBM312973'   
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 2/E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM312973
PNG
(US9605022, Example 8)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(=O)NCc2cc(F)c(O)c(F)c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r|
Show InChI InChI=1S/C89H103F2N17O15/c1-49(92-9)78(111)99-76(88(3,4)5)85(118)105-33-31-70-73(105)83(116)96-68(42-54-20-26-57-16-12-14-18-59(57)36-54)82(115)97-69(87(120)121)41-52-23-29-64(30-24-52)123-48-62-46-108(104-102-62)71-32-34-106(86(119)77(89(6,7)8)100-79(112)50(2)93-10)74(71)84(117)98-72(109)43-60(37-53-19-25-56-15-11-13-17-58(56)35-53)80(113)95-67(81(114)94-44-55-38-65(90)75(110)66(91)39-55)40-51-21-27-63(28-22-51)122-47-61-45-107(70)103-101-61/h11-30,35-36,38-39,45-46,49-50,60,67-71,73-74,76-77,92-93,110H,31-34,37,40-44,47-48H2,1-10H3,(H,94,114)(H,95,113)(H,96,116)(H,97,115)(H,99,111)(H,100,112)(H,120,121)(H,98,109,117)/t49-,50-,60+,67-,68-,69-,70+,71+,73-,74-,76+,77+/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/an/a 1.20n/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-BIR2-3 (125-356, C...

US Patent US9605022 (2017)


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