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SMILES: ONC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1cccs1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50563348   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50563348
PNG
(CHEMBL2088993)
Show SMILES ONC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1cccs1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
91n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50563348
PNG
(CHEMBL2088993)
Show SMILES ONC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1cccs1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
131n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50563348
PNG
(CHEMBL2088993)
Show SMILES ONC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1cccs1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50563348
PNG
(CHEMBL2088993)
Show SMILES ONC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1cccs1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 incubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0
More data for this
Ligand-Target Pair