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 7 hits for monomerid = 50063917   

TargetMatrilysin(Homo sapiens (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

TargetMatrilysin(Homo sapiens (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

TargetMatrilysin(Homo sapiens (Human))
Abbott Laboratories

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

TargetMatrilysin(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  20nMAssay Description:50% inhibition of human recombinant MatrilysinMore data for this Ligand-Target Pair
In DepthDetails ArticleDrugBank

TargetMatrilysin(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  20nMAssay Description:Inhibition of MMP-7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetMatrilysin(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50063917((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Affinity DataIC50:  10nMAssay Description:Inhibition of MMP7 in human U2OS cells by peptide microarray-based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetMatrilysin(Homo sapiens (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 MMP-7 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank