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-OUAUKWLOSA-N

Data  15 KI  104 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 119 hits for monomerid = 50063917   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of recombinant human tumor necrosis factor-alpha converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of recombinant human TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target72 kDa type IV collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  0.600nMAssay Description:Inhibitory potency against Matrix metalloprotease-2 (MMP-2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  0.700nMAssay Description:Inhibitory potency against Matrix metalloprotease-1 (MMP-1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi: <1nMAssay Description:In vitro inhibition of human MMP-1.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrix metalloproteinase-9(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi: <1nMAssay Description:In vitro inhibition of human MMP-9.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of recombinant human matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of Recombinant human matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  2.40nMAssay Description:Inhibition of human MMP-3.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  6.30nMAssay Description:Inhibitory potency against Tumor necrosis factor alpha converting enzyme (TACE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  8.90nMAssay Description:Inhibitory potency against Matrix metalloprotease-3 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrix metalloproteinase-9(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant human matrix metalloproteinase-9 (gelatinase B)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrix metalloproteinase-9(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant human matrix metalloproteinase-9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  84nMAssay Description:Inhibition of recombinant human matrix metalloproteinase-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataKi:  84nMAssay Description:Inhibition of recombinant human matrix metalloproteinase-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of Matrix metalloproteinase-9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrix metalloproteinase-9(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  8nMAssay Description:Activity against Matrix metalloproteinase-9 (MMP-9).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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 ArticlePubMed

TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  4.40nMAssay Description:Activity against Matrix metalloproteinase-3 (MMP-3).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  2nMAssay Description:Activity against Matrix metalloproteinase-1 (MMP-1).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target72 kDa type IV collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  5.10nMAssay Description:Activity against Matrix metalloproteinase-2 (MMP-2).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrix metalloproteinase-9(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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 ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  1.10nMAssay Description:In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  10nMAssay Description:In vitro inhibitory activity against human recombinant matrix metalloproteinase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target72 kDa type IV collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  0.850nMAssay Description:In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNFMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrilysin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  11nMAssay Description:In vitro inhibitory activity against human recombinant matrix metalloproteinase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  5nMAssay Description:Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  2nMAssay Description:Inhibition of MMP-8 (matrix metalloproteinase-8)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of TNF(tumor necrosis factor) in human bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
Hokkaido Collaboration Center

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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 ArticlePubMed

TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  2nMAssay Description:Inhibition of HNC MMP-8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  5nMAssay Description:Inhibition of HFC MMP-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target72 kDa type IV collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  6nMAssay Description:Inhibition of Gel-A MMP-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetCollagenase 3(Human)
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  2nMAssay Description:Inhibition of Coll-3 MMP-13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Strom-1 MMP-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


Target72 kDa type IV collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of Matrix metalloproteinase-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of Matrix metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetCollagenase 3(Human)
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of Matrix metalloproteinase-13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  25nMAssay Description:Inhibition of Matrix metalloproteinase-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetCollagenase 3(Human)
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of Matrix metalloprotease-13 (MMP-13) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMatrilysin(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  4.10nMAssay Description:Inhibition of Matrix metalloprotease-7 (MMP-7) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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 ArticlePubMedDrugBank


Target72 kDa type IV collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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 ArticlePubMedDrugBank


TargetNeutrophil collagenase(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  0.470nMAssay Description:Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetStromelysin-1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  14nMAssay Description:Inhibition of Matrix metalloprotease-3 (MMP-3) in fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetInterstitial collagenase(Human)
Preclinical Research Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
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 ArticlePubMedDrugBank


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