BDBM50084665 CHEMBL115189::N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1*-dihydroxy-3-isobutyl-succinamide(Marimisant)

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

InChI Key InChIKey=OCSMOTCMPXTDND-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50084665   

TargetMatrix metalloproteinase-9(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 3nMAssay Description:Inhibition of matrix metalloprotease-9 (MMP-9).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetStromelysin-1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 200nMAssay Description:Inhibition of matrix metalloprotease-3 (MMP-3).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMatrilysin(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 20nMAssay Description:Inhibition of matrix metalloprotease-7 (MMP-7).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 5nMAssay Description:Inhibition of matrix metalloprotease-1 (MMP-1).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 6nMAssay Description:Inhibition of matrix metalloprotease-2 (MMP-2).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084665(N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...)
Affinity DataIC50: 2nMAssay Description:Inhibition of matrix metalloprotease-8 (MMP-8).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed