BDBM50340409 (3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(3-methoxypropyl)-5-(3-(methylsulfonamido)propoxy)benzyl)piperidine-3-carboxamide::CHEMBL1761521

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

InChI Key InChIKey=TYDNACGHSINKSF-UHFFFAOYSA-N

Data  1 KI  4 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 5 hits for monomerid = 50340409   

TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340409((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 0.0280nMpH: 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
LigandPNGBDBM50340409((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 2.90nMAssay 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
LigandPNGBDBM50340409((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 2.76E+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
LigandPNGBDBM50340409((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)
Affinity DataIC50: 1.60E+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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50340409((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