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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 710.7
BDBM50588295
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human))
BDBM50588295
(CHEMBL5193194)
Show SMILES
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
205
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01459
BindingDB Entry DOI:
10.7270/Q2988C0R
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7
(Homo sapiens (Human))
BDBM50588295
(CHEMBL5193194)
Show SMILES
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
280
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01459
BindingDB Entry DOI:
10.7270/Q2988C0R
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human))
BDBM50588295
(CHEMBL5193194)
Show SMILES
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
371
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01459
BindingDB Entry DOI:
10.7270/Q2988C0R
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human))
BDBM50588295
(CHEMBL5193194)
Show SMILES
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
481
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01459
BindingDB Entry DOI:
10.7270/Q2988C0R
More data for this
Ligand-Target Pair