BDBM50063918 (2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide::4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE::4-Methyl-2-[1-methyl-2-(thiophen-2-ylsulfanyl)-ethyl]-pentanoic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide::BATIMASTAT::BB-94::CHEMBL279786::N*4*-Hydroxy-2-isobutyl-N*1*-(1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide

SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO

InChI Key InChIKey=XFILPEOLDIKJHX-UHFFFAOYSA-N

Data  1 KI  47 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 50063918   

Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 4nMAssay Description:Inhibition of MMP-2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 3nMAssay Description:Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 5nMAssay Description:50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)More data for this Ligand-Target Pair
In DepthDetails Article

TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 20nMAssay Description:50% inhibition of human recombinant stromelysin (MMP-3, HFS)More data for this Ligand-Target Pair
In DepthDetails Article

TargetMatrilysin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 6nMAssay Description:50% inhibition of human recombinant MatrilysinMore data for this Ligand-Target Pair
In DepthDetails Article

Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 4nMAssay Description:Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).More data for this Ligand-Target Pair
In DepthDetails Article

TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 47nMAssay Description:Inhibition of human matrix metalloprotease-14 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Sejong University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 25nMAssay Description:Inhibition of human matrix metalloprotease-9 expressed in Sf9 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 13nMAssay Description:Inhibition of human matrix metalloprotease-2 expressed in Sf9 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSnake venom metalloproteinase BaP1(Terciopelo)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of TACE (unknown origin) using fluorogenic LAQAVRSSSR peptide as a substrate by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails Article

TargetMatrix metalloproteinase-9(Human)
Sejong University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 1nMAssay Description:Inhibition of MMP-9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 15nMAssay Description:Inhibition of Tumor necrosis factor alpha converting enzyme (TACE)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human MMP-1More data for this Ligand-Target Pair
In DepthDetails
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human MMP-2More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of human MMP-3More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMatrilysin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of human MMP-7More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNeutrophil collagenase(Human)
Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 700nMAssay Description:Inhibition of human MMP-8More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of human MMP-14More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.75nMAssay Description:Inhibition of MMP-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of MMP-2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.730nMAssay Description:Inhibition of MMP-3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMatrix metalloproteinase-9(Human)
Sejong University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of MMP-9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of MMP-14 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMatrilysin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.40nMAssay Description:In vitro inhibitory activity against human recombinant matrix metalloprotease 7More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Sejong University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.200nMAssay Description:Activity against Matrix metalloprotease-9 (MMP-9).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.650nMAssay Description:Activity against Matrix metalloprotease-3 (MMP-3).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.400nMAssay Description:Activity against Matrix metalloprotease-1 (MMP-1).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 1nMAssay Description:Activity against Matrix metalloprotease-2 (MMP-2).More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLow affinity immunoglobulin epsilon Fc receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 100nMAssay Description:Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 5-10More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 5nMAssay Description:Inhibitory activity towards human recombinant fibroblast collagenaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.60nMAssay Description:Inhibitory activity towards human recombinant fibroblast collagenaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLow affinity immunoglobulin epsilon Fc receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 100nMAssay Description:Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 100-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of matrix metalloprotease 2 (MMP2) of human HT1080 fibrosarcoma cells induced with TNFMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.75nMAssay Description:Inhibition of human recombinant matrix metalloprotease 3 (MMP3)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 1.20nMAssay Description:In vitro inhibitory activity against matrix metalloprotease 1 isolated from the culture medium of human skin fibroblasts induced with PMAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCollagenase 3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 5nMAssay Description:Inhibition of Matrix metalloprotease-13More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of Matrix metalloprotease-14More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Sejong University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of Matrix metalloprotease-9More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Sejong University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human matrix metalloprotease-9 (MMP-9)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of Matrix metalloprotease-14More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.75nMAssay Description:Inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.5nMAssay Description:Ability to inhibit the matrix metalloprotease-2 by method of Knight et al using the fluorogenic peptide substrate.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.730nMAssay Description:Ability to inhibit the matrix metalloprotease-3 by method of Knight et al using the fluorogenic peptide substrate.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target72 kDa type IV collagenase(Human)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.730nMAssay Description:Inhibition of human matrix metalloprotease-2 (MMP-2)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.990nMAssay Description:Inhibition of human Matrix metalloprotease-1 (MMP-1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetStromelysin-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50: 0.560nMAssay Description:Inhibition of human matrix metalloprotease-3 (MMP-3)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInterstitial collagenase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of human fibroblast collagenase, matrix metalloprotease-1More data for this Ligand-Target Pair
In DepthDetails Article