BDBM50063917 (2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N(1),2-dihydroxy-3-(2-methylpropyl)butanediamide::CHEMBL279785::cid_119031::marimastat

SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C

InChI Key InChIKey=OCSMOTCMPXTDND-UHFFFAOYSA-N

Data  15 KI  110 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 125 hits for monomerid = 50063917   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 25.4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 60.6nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 35.8nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 11.5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetMatrix metalloproteinase-9(Human)
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of Matrix metalloprotease-9More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 8nMAssay Description:Activity against Matrix metalloprotease-9 (MMP-9).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.80nMAssay Description:Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 4.40nMAssay Description:Activity against Matrix metalloprotease-3 (MMP-3).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 2nMAssay Description:Activity against Matrix metalloprotease-1 (MMP-1).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 5.10nMAssay Description:Activity against Matrix metalloprotease-2 (MMP-2).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 0.790nMAssay Description:In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.10nMAssay Description:In vitro inhibitory activity against matrix metalloprotease 1 isolated from the culture medium of human skin fibroblasts induced with PMAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant matrix metalloprotease 3 (MMP3)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 0.850nMAssay Description:Inhibition of matrix metalloprotease 2 (MMP2) of human HT1080 fibrosarcoma cells induced with TNFMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrilysin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 11nMAssay Description:In vitro inhibitory activity against human recombinant matrix metalloprotease 7More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 5nMAssay Description:Inhibitory activity against MMP-1 (Matrix metalloprotease-1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 2nMAssay Description:Inhibition of MMP-8 (matrix metalloprotease-8)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of TNF(tumor necrosis factor) in human bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 3.80nMAssay Description:Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 2nMAssay Description:Inhibition of HNC MMP-8More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 5nMAssay Description:Inhibition of HFC MMP-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 6nMAssay Description:Inhibition of Gel-A MMP-2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCollagenase 3(Human)
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 2nMAssay Description:Inhibition of Coll-3 MMP-13More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 200nMAssay Description:Inhibition of Strom-1 MMP-3More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of Matrix metalloprotease-2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCollagenase 3(Human)
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of Matrix metalloprotease-13More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 25nMAssay Description:Inhibition of Matrix metalloprotease-3More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCollagenase 3(Human)
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Matrix metalloprotease-13 (MMP-13) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrilysin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 4.10nMAssay Description:Inhibition of Matrix metalloprotease-7 (MMP-7) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 0.780nMAssay Description:In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 0.410nMAssay Description:In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 0.470nMAssay Description:Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 14nMAssay Description:Inhibition of Matrix metalloprotease-3 (MMP-3) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length human recombinant MMP1 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of TACE (unknown origin) using Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length recombinant ADAMTS4 (unknown origin) expressed in insect Sf9 cells after 6 hrs by alkaline phosphatase-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length recombinant ADAMTS5 (unknown origin) expressed in insect Sf9 cells after 6 hrs by alkaline phosphatase-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetStromelysin-1(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP3 (unknown origin) catalytic domain using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 60 mins...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length human recombinant MMP2 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrilysin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP7 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins foll...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP8 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins foll...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length human recombinant MMP9 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human MMP10 catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fo...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMacrophage metalloelastase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP12 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP14 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-15(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP15 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-16(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP16 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-20(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP20 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-24(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063917(CHEMBL279785 | marimastat | cid_119031 | (2S,3R)-N...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP24 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins fol...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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