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BDBM50290159 3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethylsulfamoyl]-5-methyl-hexanoic acid::CHEMBL309794

SMILES: CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(C)C)CC(O)=O

InChI Key: InChIKey=IONSTZXMLPCJLY-LYKKTTPLSA-N

Data: 4 KI

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 4 hits for monomerid = 50290159   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290159
PNG
(3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(C)C)CC(O)=O
Show InChI InChI=1S/C18H28N2O6S/c1-12(2)9-15(11-17(21)22)27(24,25)20-16(18(23)19-3)10-13-5-7-14(26-4)8-6-13/h5-8,12,15-16,20H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t15?,16-/m0/s1
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Article
3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2 (MMP-2)


Bioorg Med Chem Lett 7: 2331-2336 (1997)


Article DOI: 10.1016/S0960-894X(97)00182-0
BindingDB Entry DOI: 10.7270/Q2TH8MQ4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290159
PNG
(3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(C)C)CC(O)=O
Show InChI InChI=1S/C18H28N2O6S/c1-12(2)9-15(11-17(21)22)27(24,25)20-16(18(23)19-3)10-13-5-7-14(26-4)8-6-13/h5-8,12,15-16,20H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t15?,16-/m0/s1
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Article
1.91E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 7: 2331-2336 (1997)


Article DOI: 10.1016/S0960-894X(97)00182-0
BindingDB Entry DOI: 10.7270/Q2TH8MQ4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290159
PNG
(3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(C)C)CC(O)=O
Show InChI InChI=1S/C18H28N2O6S/c1-12(2)9-15(11-17(21)22)27(24,25)20-16(18(23)19-3)10-13-5-7-14(26-4)8-6-13/h5-8,12,15-16,20H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t15?,16-/m0/s1
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Article
1.92E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 7: 2331-2336 (1997)


Article DOI: 10.1016/S0960-894X(97)00182-0
BindingDB Entry DOI: 10.7270/Q2TH8MQ4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50290159
PNG
(3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(C)C)CC(O)=O
Show InChI InChI=1S/C18H28N2O6S/c1-12(2)9-15(11-17(21)22)27(24,25)20-16(18(23)19-3)10-13-5-7-14(26-4)8-6-13/h5-8,12,15-16,20H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t15?,16-/m0/s1
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Article
>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 7: 2331-2336 (1997)


Article DOI: 10.1016/S0960-894X(97)00182-0
BindingDB Entry DOI: 10.7270/Q2TH8MQ4
More data for this
Ligand-Target Pair