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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
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
10
hits for monomerid = 50592902
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
Interstitial collagenase
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Stromelysin-1
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
17
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Matrilysin
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>100
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Neutrophil collagenase
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>100
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Stromelysin-2
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
51
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Collagenase 3
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
65
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
72 kDa type IV collagenase
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
98
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
Macrophage metalloelastase
(Homo sapiens (Human))
BDBM50592902
(CHEMBL5198463)
Show SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01855
BindingDB Entry DOI:
10.7270/Q2GB281X
More data for this
Ligand-Target Pair
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