BDBM50259465 (1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide::(1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide::CHEMBL509903

SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl

InChI Key InChIKey=SXZFQYPWEANJGQ-SKCUWOTOSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

  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 7 hits for monomerid = 50259465   

TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50:  36nMAssay Description:Inhibition of renin in plasmaMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50:  36nMAssay Description:Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassayMore data for this Ligand-Target Pair
TargetCathepsin E(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50259465((1R,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of cathepsin EMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed