BDBM203864 (S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide (1)

SMILES COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3ccccc23)cc1

InChI Key InChIKey=HMNBKWNEJGMBRQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 203864   

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

LigandPNGBDBM203864((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...)
Affinity DataIC50: 3.00E+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
In DepthDetails Article
PubMed
TargetKallikrein-7 [37-253,Y180R](Human)
Novartis Pharma

LigandPNGBDBM203864((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...)
Affinity DataIC50: 700nMpH: 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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetComplement factor D(Human)
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM203864((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...)
Affinity DataIC50: 3.00E+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
In DepthDetails Article
PubMed