BDBM50361618 CHEMBL1939876::US8785489, 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid

SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O

InChI Key InChIKey=MMJPVSDTLGFIQW-UHFFFAOYSA-N

Data  16 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50361618   

TargetCollagenase 3(Mus musculus (Mouse))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  0.800nMAssay Description:The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >2.20E+4nMAssay Description:Inhibition of human recombinant MMP3 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  11nMAssay Description:Inhibition of AMPA-activated MMP13-mediated degradation of FITC-labeled type2 collagen after 1.5 hrs by fluorimetryMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  8.30E+3nMAssay Description:Inhibition of human recombinant MMP14 after 60 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  8.90E+3nMAssay Description:Inhibition of human recombinant MMP9 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  4nMAssay Description:Inhibition of MMP13 after 30 mins by fluorimetry in the presence of 1.25% human serum albuminMore data for this Ligand-Target Pair
TargetMatrilysin(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >2.20E+4nMAssay Description:Inhibition of human recombinant MMP7 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >2.20E+4nMAssay Description:Inhibition of human recombinant MMP8 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-2(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of human recombinant MMP10 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage metalloelastase(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >2.20E+4nMAssay Description:Inhibition of human recombinant MMP12 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin as substrate after 45 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetryMore data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of human recombinant MMP2 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50: >2.20E+4nMAssay Description:Inhibition of human recombinant MMP1 after 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50361618(CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbo...)
Affinity DataIC50:  31nMAssay Description:Inhibition of human MMP13-mediated degradation of bovine nasal cartilage after 2 hrs by ELISA in the presence of 10% human serumMore data for this Ligand-Target Pair