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 16 hits for monomerid = 50063917   

TargetStromelysin-1(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (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(Homo sapiens (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(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (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

TargetStromelysin-1(Homo sapiens (Human))
Dupont Pharmaceuticals

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

TargetStromelysin-1(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  200nMAssay Description:50% inhibition of human recombinant stromelysin (MMP-3, HFS)More data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

TargetStromelysin-1(Homo sapiens (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 metalloprotease-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetStromelysin-1(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  25nMAssay Description:Inhibitory activity against matrix metalloprotease-3 (MMP3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetStromelysin-1(Homo sapiens (Human))
Dupont Pharmaceuticals

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

TargetStromelysin-1(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  26nMAssay Description:Inhibition of MMP3 in human U2OS cells by peptide microarray-based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetStromelysin-1(Homo sapiens (Human))
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  14nMAssay Description:Inhibition of MMP-3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank