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
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50063917   

TargetCollagenase 3(Homo sapiens (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

TargetCollagenase 3(Homo sapiens (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

TargetCollagenase 3(Homo sapiens (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

TargetCollagenase 3(Homo sapiens (Human))
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  2nMAssay Description:50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCollagenase 3(Homo sapiens (Human))
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCollagenase 3(Homo sapiens (Human))
British Biotech Pharmaceuticals

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

TargetCollagenase 3(Homo sapiens (Human))
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  3.40nMAssay Description:Inhibitory activity against matrix metalloprotease-13 (MMP13)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCollagenase 3(Homo sapiens (Human))
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  0.740nMAssay Description:Inhibition of MMP-13 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetCollagenase 3(Homo sapiens (Human))
British Biotech Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  128nMAssay Description:Inhibition of MMP13 in human U2OS cells by peptide microarray-based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetCollagenase 3(Homo sapiens (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 MMP-13 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank