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-QYZOEREBSA-N

Data  1 KI  40 IC50

PDB links: 11 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50063918   

TargetInterstitial collagenase(Homo sapiens (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 metalloproteinase-1More data for this Ligand-Target Pair
In DepthDetails Article
TargetMatrix metalloproteinase-14(Homo sapiens (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:  2.80E+3nMAssay Description:Inhibition of human MMP-14More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetStromelysin-1(Homo sapiens (Human))
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50:  0.650nMAssay Description:Activity against Matrix metalloproteinase-3 (MMP-3).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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 metalloproteinase-1 (MMP-1).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50:  1nMAssay Description:Activity against Matrix metalloproteinase-2 (MMP-2).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLow affinity immunoglobulin epsilon Fc receptor(Homo sapiens (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)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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 ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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 of the compound towards human recombinant fibroblast collagenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLow affinity immunoglobulin epsilon Fc receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50:  100nMAssay Description:Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50:  2.10nMAssay Description:In vitro inhibitory activity against matrix metalloproteinase 2 isolated from human HT-1080 fibrosarcoma cells induced with TNFMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Kanebo

Curated by ChEMBL
LigandPNGBDBM50063918((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Affinity DataIC50:  0.75nMAssay Description:In vitro inhibitory activity against human recombinant matrix metalloproteinase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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 metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Abbott Laboratories

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 metalloproteinase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-14(Homo sapiens (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:  2.90nMAssay Description:Inhibition of Matrix metalloprotease-14More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Pfizer

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 ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Pfizer

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 ArticlePubMed
TargetMatrix metalloproteinase-14(Homo sapiens (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:  4.60nMAssay Description:Inhibition of Matrix metalloprotease-14More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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 ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Kanebo

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 ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Kanebo

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 ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Kanebo

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 ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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 ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Kanebo

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 ArticlePubMed
TargetCollagenase 3(Homo sapiens (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 ArticlePubMed
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 ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (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(Homo sapiens (Human))
Kanebo

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(Homo sapiens (Human))
Abbott Laboratories

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(Homo sapiens (Human))
Kanebo

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(Homo sapiens (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:  47nMAssay Description:Inhibition of human matrix metalloprotease-14 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Pfizer

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 ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Kanebo

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 ArticlePubMed
TargetSnake venom metalloproteinase BaP1(Bothrops asper)
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 ArticlePubMed
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
TargetInterstitial collagenase(Homo sapiens (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(Homo sapiens (Human))
Kanebo

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(Homo sapiens (Human))
Kanebo

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(Homo sapiens (Human))
Abbott Laboratories

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(Homo sapiens (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
TargetMatrix metalloproteinase-14(Homo sapiens (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:  3nMAssay Description:Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Pfizer

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