BDBM28485 (2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene}sulfonamido)-3-methylbutanoic acid::CHEMBL187523::benzofuran, 1

SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O

InChI Key InChIKey=HJFONKSERLWIGE-DEOSSOPVSA-N

Data  13 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 28485   

TargetMacrophage metalloelastase(Human)
Wyeth Research

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCollagenase 3(Human)
Wyeth Research

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMAssay Description:The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetMatrix metalloproteinase-14(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  2.20E+3nMAssay Description:Inhibitory concentration against MMP-14More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetInterstitial collagenase(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50: >1.60E+4nMAssay Description:Inhibitory concentration against MMP-1More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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Target72 kDa type IV collagenase(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibitory concentration against MMP-2More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCollagenase 3(Bovine)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMAssay Description:Inhibitory concentration against MMP-13 of bovine articular cartilage explantsMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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Target72 kDa type IV collagenase(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibition of human MMP2More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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Target72 kDa type IV collagenase(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibitory concentration against MMP-2More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetCollagenase 3(Human)
Wyeth Research

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  2.40nMAssay Description:Inhibitory concentration against MMP-13More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
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TargetCollagenase 3(Human)
Wyeth Research

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  2.40nMAssay Description:Inhibition of MMP13More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
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Target72 kDa type IV collagenase(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetMacrophage metalloelastase(Human)
Wyeth Research

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:Inhibition of human recombinant MMP12More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetCollagenase 3(Human)
Wyeth Research

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMAssay Description:Inhibition of human recombinant MMP13More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI
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TargetMatrilysin(Human)
Wyeth Research

Curated by ChEMBL

LigandBDBM28485((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)Copy SMILESCopy InChI

Affinity DataEC50:  4nMAssay Description:Inhibitory concentration against MMP-7More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL