BDBM50062351 (R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-isobutyl-succinamide::(R)-N*4*-Hydroxy-N*1*-[2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-isobutyl-succinamide::(R)-N1-((S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl)-N4-hydroxy-2-isobutylsuccinamide::3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE::CHEMBL19611::Ilomastat::US9487462, ilomastat

SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO

InChI Key InChIKey=NITYDPDXAAFEIT-DYVFJYSZSA-N

Data  16 KI  92 IC50

PDB links: 6 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 9 hits for monomerid = 50062351   

Target72 kDa type IV collagenase(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  0.190nMAssay Description:Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as a substrate preincubated for 15 mins followed by substr...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMacrophage metalloelastase(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  0.460nMAssay Description:Inhibition of recombinant human MMP12 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCollagenase 3(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  0.280nMAssay Description:Inhibition of recombinant human MMP13 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate a...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  0.560nMAssay Description:Inhibition of recombinant human MMP1 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetStromelysin-1(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  32nMAssay Description:Inhibition of recombinant human MMP3 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMatrilysin(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  5.10nMAssay Description:Inhibition of recombinant human MMP7 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate ad...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of recombinant human MMP8 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate ad...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  0.980nMAssay Description:Inhibition of recombinant human MMP9 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate ad...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50062351((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of recombinant human MMP14 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substra...More data for this Ligand-Target Pair
In DepthDetails PubMed