BDBM50168737 (2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzenesulfonyl]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid hydroxyamide::CHEMBL187092

SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1

InChI Key InChIKey=LTVIJEFEZVFIST-AZUAARDMSA-N

Data  30 IC50

  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 30 hits for monomerid = 50168737   

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

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  11nMAssay Description:Inhibitory concentration against MMP-9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage metalloelastase(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50: <1nMAssay Description:Competitive inhibition against rat cytoplasmic thymidine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  3nMAssay Description:Inhibition of ADAMTS-4 using WAAG-3R as substrate preincubated for 15 mins measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  6.30nMAssay Description:Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  150nMAssay Description:Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  18nMAssay Description:Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  7nMAssay Description:Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  4nMAssay Description:Inhibitory concentration against MMP-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  5nMAssay Description:Inhibitory concentration against MMP-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibitory concentration against MMP-8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  310nMAssay Description:Inhibitory concentration against MMP-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTumor necrosis factor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  10nMAssay Description:Inhibitory concentration against TNF-alpha releasein LPS treated whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated 15 mins measured every 30 sec for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  310nMAssay Description:Inhibition of MMP-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  79nMAssay Description:Inhibition of ADAMTS-1 using FAM (5-carbosyfluorescein)-AE*LQGRPISIAK substrate after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  309nMAssay Description:Inhibition of MMP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human ADAMTS4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs by Alphascreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human MMP13 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  150nMAssay Description:In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human ADAMTS5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs by Alphascreen assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  18nMAssay Description:Inhibition of human ADAMTS5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs in the presence of 50% Lewis rat plasm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human MMP2 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human MMP3 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50168737((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Affinity DataIC50:  83nMAssay Description:Inhibitory concentration against MMP-14More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed