BDBM50340407 (3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(2-methoxyethoxy)-5-(3-methoxypropyl)benzyl)piperidine-3-carboxamide::CHEMBL1761519

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

InChI Key InChIKey=XFJSBMXXKPHIIX-UHFFFAOYSA-N

Data  2 KI  6 IC50

  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 8 hits for monomerid = 50340407   

TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 5nMAssay Description:Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 0.0210nMpH: 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
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 4.40nMAssay 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
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 2.16E+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
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 2.40E+3nMAssay 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
TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 0.0200nMAssay Description:Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataKi:  80nMAssay Description:Binding affinity to human ERGMore 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
LigandPNGBDBM50340407((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataKi:  800nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed