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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50393631   
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
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50393631
PNG
(CHEMBL2158600)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C58H72N10O8/c1-37(59-3)53(71)61-45-35-65(33-31-43-25-27-47(67(43)57(45)75)55(73)63-51(39-17-9-5-10-18-39)40-19-11-6-12-20-40)49(69)29-30-50(70)66-34-32-44-26-28-48(68(44)58(76)46(36-66)62-54(72)38(2)60-4)56(74)64-52(41-21-13-7-14-22-41)42-23-15-8-16-24-42/h5-24,37-38,43-48,51-52,59-60H,25-36H2,1-4H3,(H,61,71)(H,62,72)(H,63,73)(H,64,74)/t37-,38-,43+,44+,45-,46-,47-,48-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.20n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mi...


J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))
BDBM50393631
PNG
(CHEMBL2158600)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C58H72N10O8/c1-37(59-3)53(71)61-45-35-65(33-31-43-25-27-47(67(43)57(45)75)55(73)63-51(39-17-9-5-10-18-39)40-19-11-6-12-20-40)49(69)29-30-50(70)66-34-32-44-26-28-48(68(44)58(76)46(36-66)62-54(72)38(2)60-4)56(74)64-52(41-21-13-7-14-22-41)42-23-15-8-16-24-42/h5-24,37-38,43-48,51-52,59-60H,25-36H2,1-4H3,(H,61,71)(H,62,72)(H,63,73)(H,64,74)/t37-,38-,43+,44+,45-,46-,47-,48-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 500n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins me...


J Med Chem 55: 106-14 (2012)


Article DOI: 10.1021/jm201072x
BindingDB Entry DOI: 10.7270/Q2BG2Q3B
More data for this
Ligand-Target Pair