BDBM50616392 CHEMBL5412341

SMILES CC(C)C[C@@H](C(=O)N(C)[C@@H](CCC(=O)O)C(=O)NCCCCC(=O)N)NC(=O)[C@@H]1C[C@@H](CN1C(=O)CC[C@H](C(=O)O)NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)N)N

InChI Key InChIKey=XGGNDAOPHPLHFW-UHFFFAOYSA-N

Data  7 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50616392   

Target72 kDa type IV collagenase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 0.220nMAssay Description:Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMacrophage metalloelastase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 250nMAssay Description:Inhibition of human recombinant MMP12 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetCollagenase 3(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 240nMAssay Description:Inhibition of human recombinant MMP13 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target72 kDa type IV collagenase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 0.220nMAssay Description:Inhibition of human recombinant MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
Target72 kDa type IV collagenase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 0.0340nMAssay Description:Inhibition of human recombinant MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 5 mins followed by substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetInterstitial collagenase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 2.70E+5nMAssay Description:Inhibition of human recombinant MMP1 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetNeutrophil collagenase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human recombinant MMP8 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target72 kDa type IV collagenase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  0.0340nMAssay Description:Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMatrix metalloproteinase-14(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  68nMAssay Description:Inhibition of human recombinant MMP14 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetCollagenase 3(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  110nMAssay Description:Inhibition of human recombinant MMP13 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetMacrophage metalloelastase(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  170nMAssay Description:Inhibition of human recombinant MMP12 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetMatrix metalloproteinase-9(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of human recombinant MMP9 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetStromelysin-1(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  4.90E+3nMAssay Description:Inhibition of human recombinant MMP3 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetMatrilysin(Human)
Taisho Pharmaceutical Co.

Curated by ChEMBL
LigandPNGBDBM50616392(CHEMBL5412341)
Affinity DataKi:  1.50E+5nMAssay Description:Inhibition of human recombinant MMP7 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed