BDBM203865 Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carbamoyl)pyrrolidine-1-carboxamido)-methyl)benzoate (2)

SMILES COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1

InChI Key InChIKey=PFCVWXAGCYCOIQ-SFHVURJKSA-N

Data  15 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 203865   

TargetComplement factor D [24-253](Homo sapiens (Human))
Novartis Pharma

LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  1.37E+4nMpH: 7.5 T: 2°CAssay Description:Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetComplement factor D(Homo sapiens (Human))
Biocryst Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of human complement factor D using Z-L-Lys-SBzl hydrochloride as substrate preincubated for 15 mins followed by substrate addition and mea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetComplement factor B [470-764](Homo sapiens (Human))
Novartis Pharma

LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50: >1.00E+5nMpH: 7.4 T: 2°CAssay Description:Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetKallikrein-7 [37-253,Y180R](Homo sapiens (Human))
Novartis Pharma

LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  8.70E+3nMpH: 5.6 T: 2°CAssay Description:Recombinant human KLK7 (5 nM concentration) was pre-incubated with inhibitor at various concentrations for 1 h at room temperature in 50 mM sodium ci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetComplement factor D(Homo sapiens (Human))
Biocryst Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  1.40E+4nMAssay Description:Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]prazosin as the radioligandMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetKallikrein-5(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human kallikrein 5More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetKallikrein-7(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  9.00E+3nMAssay Description:Inhibition of KLK7 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human coagulation factor 10aMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetComplement factor D(Homo sapiens (Human))
Biocryst Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of recombinant human complement factor D catalytic domain (G24 to A253 residues) expressed in Escherichia coli Rosetta using Z-Lys-thioben...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNeutrophil elastase(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetComplement factor D(Homo sapiens (Human))
Biocryst Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of recombinant complement factor D catalytic domain (unknown origin) using Z-Lys-thiobenzyl as substrate pretreated for 1 hr followed by s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetComplement factor D(Homo sapiens (Human))
Biocryst Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of recombinant human factor D expressed in Escherichia coli using Z-Lys-thiobenzyl as substrate after 1 hr by spectrofluorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetComplement factor D(Homo sapiens (Human))
Biocryst Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50: >1.40E+4nMAssay Description:Inhibition of recombinant human CFD catalytic domain (G24 to A253 residues) expressed in Escherichia coli (Rosetta) using Z-Lys-thiobenzyl and 2,4-di...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetComplement factor D [24-253](Homo sapiens (Human))
Novartis Pharma

LigandPNGBDBM203865(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Affinity DataIC50:  3.32E+4nMpH: 7.4 T: 2°CAssay Description:Recombinant human FD (10 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in 0.1 M PBS (pH 7.4) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB