BDBM50340419 1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamido)methyl)-5-(3-methoxypropyl)phenoxy)ethyl)cyclopentanecarboxylic acid::CHEMBL1761535

SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC2(CCCC2)C(O)=O)c1

InChI Key InChIKey=ZDTOKBCZSLOGNR-UHFFFAOYSA-N

Data  1 KI  4 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 5 hits for monomerid = 50340419   

TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340419(1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...)
Affinity DataIC50: 0.0100nMpH: 7.4Assay Description:Inhibition of human recombinant renin in PBS buffer using tetradecapeptide at pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340419(1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...)
Affinity DataIC50: 12.4nMAssay Description:Inhibition of human recombinant renin in human citreated-plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340419(1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340419(1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high thro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340419(1-(2-(3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichl...)
Affinity DataKi:  500nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed