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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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null
SMILES:
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
5
hits for monomerid = 50555049
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Macrophage metalloelastase
(Homo sapiens (Human))
BDBM50555049
(CHEMBL4747528)
Show SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
12
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Collagenase 3
(Homo sapiens (Human))
BDBM50555049
(CHEMBL4747528)
Show SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
81
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9
(Homo sapiens (Human))
BDBM50555049
(CHEMBL4747528)
Show SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
125
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
72 kDa type IV collagenase
(Homo sapiens (Human))
BDBM50555049
(CHEMBL4747528)
Show SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
164
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Matrilysin
(Homo sapiens (Human))
BDBM50555049
(CHEMBL4747528)
Show SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
323
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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