BDBM50124947 CHEMBL453539

SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1

InChI Key InChIKey=QQBRBPSSMDPLLA-GECFALDLSA-N

Data  12 KI  1 IC50

  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 13 hits for monomerid = 50124947   

TargetSerine protease 1(Bos taurus (bovine))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  0.00800nMAssay Description:Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  0.0300nMAssay Description:Inhibition of human cationic trypsin using Boc-VPR-MCA as substrate measured every 30 secs for 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  0.100nMAssay Description:Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypsin(Homo sapiens (Human))
Queensland University Of Technology

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  0.100nMAssay Description:Inhibition of trypsin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  1nMAssay Description:Inhibition of bovine beta-trypsin using N-t-Boc Gln-Ala-Arg-AMC as substrate preincubated with enzyme followed by substrate addition by Dixon plot an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  2.40nMAssay Description:Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  13nMAssay Description:Inhibition of bovine beta-trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSuppressor of tumorigenicity 14 protein(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  200nMAssay Description:Inhibition of recombinant human matriptase catalytic domain pre-incubated for 60 mins before Boc QAR-AMC substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin G(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  730nMAssay Description:Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypsin-3(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  4.96E+3nMAssay Description:Competitive inhibition of recombinant human mesotrypsin using Z-GPR-MCA as substrate measured every 30 secs for 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Mus musculus (Mouse))
Medical University Of Vienna

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi: >3.00E+4nMAssay Description:Displacement of [3H]-diprenorphine from mouse KOR expressed in HEK293 cell membranes by radioligand binding assay relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataKi:  1.30E+5nMAssay Description:Inhibition of human beta-factor 12a using Ac-QRFR-pNA as substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChymase(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50124947(CHEMBL453539)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells using NleTDY-pNA as substrate assessed as cleavage of pNA at pH 7.2 a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed