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BDBM50084216 (R)-4-Methoxyamino-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL151591

SMILES: CONC1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO

InChI Key: InChIKey=OJLWCTMBGWSVFC-FFFFSGIJSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50084216   
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
Collagenase


(homo sapiens (human))
BDBM50084216
PNG
((R)-4-Methoxyamino-1-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES CONC1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9?,12-/m1/s1
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-A (matrix metalloproteinase-2).


J Med Chem 42: 5426-36 (2000)


Article DOI: 10.1021/jm9904699
BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50084216
PNG
((R)-4-Methoxyamino-1-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES CONC1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9?,12-/m1/s1
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Article
PubMed
n/an/a 3.39E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of matrilysin (Matrix metalloproteinase-7, MMP-7)


J Med Chem 42: 5426-36 (2000)


Article DOI: 10.1021/jm9904699
BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50084216
PNG
((R)-4-Methoxyamino-1-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES CONC1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9?,12-/m1/s1
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PubMed
n/an/a 3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)


J Med Chem 42: 5426-36 (2000)


Article DOI: 10.1021/jm9904699
BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50084216
PNG
((R)-4-Methoxyamino-1-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES CONC1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9?,12-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition activity of human recombinant stromelysin (Matrix metalloproteinase-3)


J Med Chem 42: 5426-36 (2000)


Article DOI: 10.1021/jm9904699
BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50084216
PNG
((R)-4-Methoxyamino-1-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES CONC1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9?,12-/m1/s1
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Article
PubMed
n/an/a 212n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant collagenase-1 (Matrix metalloproteinase-1, MMP-1)


J Med Chem 42: 5426-36 (2000)


Article DOI: 10.1021/jm9904699
BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair