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Found 1 hit Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50078355'   
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


(Homo sapiens (Human))		BDBM50078355
PNG
(CHEMBL3414726)
Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r|
Show InChI InChI=1S/C78H92N16O14/c1-43(2)67(85-69(95)45(5)79-7)75(101)91-39-57-35-65(91)73(99)81-61(33-49-17-23-51-13-9-11-15-53(51)29-49)71(97)83-63(77(103)104)31-47-21-27-60(28-22-47)108-42-56-38-94(90-88-56)58-36-66(92(40-58)76(102)68(44(3)4)86-70(96)46(6)80-8)74(100)82-62(34-50-18-24-52-14-10-12-16-54(52)30-50)72(98)84-64(78(105)106)32-48-19-25-59(26-20-48)107-41-55-37-93(57)89-87-55/h9-30,37-38,43-46,57-58,61-68,79-80H,31-36,39-42H2,1-8H3,(H,81,99)(H,82,100)(H,83,97)(H,84,98)(H,85,95)(H,86,96)(H,103,104)(H,105,106)/t45-,46-,57-,58-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
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Article
PubMed
n/an/an/an/a 59n/an/an/an/a



Ensemble Therapeutics Corp

Curated by ChEMBL


Assay Description
Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ...

J Med Chem 58: 2855-61 (2015)


Article DOI: 10.1021/jm501892g
BindingDB Entry DOI: 10.7270/Q2RF5WQ0
More data for this
Ligand-Target Pair